prelims, contents pages

prelims, contents pages

Polyhedron 81, 15 October 2014 Contents lists available at ScienceDirect Polyhedron journal homepage: www.elsevier.com/locate/poly Contents Franz ...

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Polyhedron 81, 15 October 2014

Contents lists available at ScienceDirect

Polyhedron journal homepage: www.elsevier.com/locate/poly

Contents

Franz A. Mautner, M. Salah El Fallah, Saskia Speed and Ramon Vicente Polyhedron 81 (2014) 1 Copper(II) complexes derived from 3-phosphonopropionic acid: Crystal structures and magnetic behaviour

Pavel A. Petrov, Maxim R. Ryzhikov, Alexander V. Virovets, Sergey N. Konchenko, Carlos J. Gómez-García and Rosa Llusar Polyhedron 81 (2014) 6

Three new copper(II) complexes derived of the HO3PCH2CH2CO2(2-) and HO3PCH2CH2CO2H(1-) anionic forms of the 3-phosphonopropionic acid have been prepared. Two of them are polynuclear copper(II) with different coordination modes of the first mentioned anionic ligands acting as bridging ligand and the other is a mononuclear compound with isolated HO3PCH2CH2CO2H(1-) anions. The magnetic behaviour of a ladder type monodimensional compound with the unusual anti–anti configuration of the Cu–O–P–O–Cu fragment has been studied.

Conversion of the electron precise MoIV3Se4 unit to the paramagnetic MoIV2MoIIISe5 core is achieved upon reduction with gallium, while for the analogous sulfur system a one electron reduction of the Mo3S4 complex is observed.

Synthesis, molecular and electronic structures of a paramagnetic trimetallic cluster containing an unusual Mo3(l3-Se)2(l-Se)3 core

Cigdem Tuc Altaf, Haobing Wang, Maryam Keram, Yang Yang and Haiyan Ma Polyhedron 81 (2014) 11 Aluminum methyl and isopropoxide complexes with ketiminate ligands: Synthesis, structural characterization and ring-opening polymerization of cyclic esters

Elsevier Ltd.

Several aluminum methyl and isopropoxide complexes bearing ketiminate ligands were synthesized, and characterized in selected cases with X-ray diffraction studies. These aluminum complexes proved to be active initiators for the ROP of rac-lactide and -caprolactone, affording polymers with high molecular weighs and broad distributions. Moderate isoselectivities were also achieved in the ROP of rac-lactide.

3

1-5

2

2

3 i

1 1

1

2

2

1

2

3

1

4

1

2 2

3

5

1

2

3

3

3 3

o

3

2

2

3 3

n i

i

i o

3 3

3

3

Contents

Gulaim A. Seisenbaeva, Seda Demirel Topel and Vadim G. Kessler Polyhedron 81 (2014) 21 Molecular design approach to single-source precursors of perovskite stannate materials

Elena Fursova, Galina Romanenko, Renad Sagdeev and Victor Ovcharenko Polyhedron 81 (2014) 27 Mononuclear Mn(II), Co(II), and Cu(II) pivalates

Yanmei Wang, Yu Zhu, Ji Xu, Chao Wei, Pan Liu, Yunlong Wu and Jimin Xie Polyhedron 81 (2014) 32 Structures, photoluminescence and heterogeneous catalysis of five metal complexes constructed by a flexible tricarboxylate ligand

D. Das, B.G. Vats, S. Kannan, Mukesh Kumar and M.K. Sureshkumar Polyhedron 81 (2014) 39 Synthetic and structural studies of piperidine carboxamide uranyl ion complexes

v

Bimetalic alkoxide beta-diketonate barium–tin complexes are easily obtained by interaction of in situ generated barium 2,2,6,6-tetramethylheptane-dionate with tin(IV) isopropoxide.

Mononuclear pivalates NBu4[MPiv3], where M is Mn(II), Co(II), or Cu(II), were isolated. It was found that the chelate coordination of all pivalates led to an environment of the central atom that was close to a trigonal prism in [MnPiv3] and [CoPiv3] and transformed into a distorted square environment in [CuPiv3].

Five isostructural compounds constructed with H3TTTA and bipy are reported. Elemental analysis, IR, XRD, TGA, catalysis, fluorescence and single crystal X-ray diffraction results are presented.

The complex chemistry of piperidine based amide ligands with uranyl chloride, bromide, nitrate and b-diketonates shows that the ligands bond through the amido oxygen atom to the uranyl group. The structures of the uranyl halides, nitrate and bis(b-diketonates) show octahedral, hexagonal bipyramidal and pentagonal bipyramidal geometries around the uranyl group respectively. The structures further show that the carboxamide ligands are strongly bonded to the uranyl group by showing a near linear geometry for the U–O–C bond angles (150–159).

[MPiv3]- (M = Mn, Co)

[CuPiv3]-

vi

Christian Holzhacker, Maria José Calhorda, Adrià Gil, Maria Deus Carvalho, Liliana P. Ferreira, Kurt Mereiter, Berthold Stöger, Ernst Pittenauer, Günter Allmaier and Karl Kirchner Polyhedron 81 (2014) 45 Four- and five-coordinate high-spin iron(II) complexes bearing bidentate soft/hard SN ligands based on 2-aminopyridine

Pooja Singh, Divya Pratap Singh and Vinod P. Singh Polyhedron 81 (2014) 56 Synthesis, spectral and single crystal X-ray diffraction studies on Mn(II), Ni(II), Cu(II) and Zn(II) complexes with 2-hydroxy-benzoic acid (phenyl-pyridin-2-yl-methylene)-hydrazide

Mahendra Sekhar Jana, Ajoy Kumar Pramanik, Deblina Sarkar, Sujan Biswas and Tapan Kumar Mondal Polyhedron 81 (2014) 66 Octahedral Mn(II) complex with new NNO donor Schiff base ligand: Synthesis, structure, photoluminescent behavior and computational studies

Kitt Panyarat, Timothy J. Prior and Apinpus Rujiwatra Polyhedron 81 (2014) 74 A series of new microporous lanthanide frameworks [Ln(C8H3NO6)(L)0.5(H2O)]Æ3H2O (Ln = Pr, Nd, Sm and Gd, and L = C8H4O4 or C8H4O4/C8H3NO6): Syntheses, characterization and photoluminescence properties

Contents

Several new coordinatively unsaturated monomeric iron(II) complexes of the types [Fe(SNR-Ph)X2] (X = Cl, Br; R = H, Me, Et) and the dimeric complex [Fe(SNH–Ph)(lCl)Cl]2 containing bidentate N-(2-pyridyl)amino-diphenylphosphine sulfides were prepared and characterized by X-ray crystallography, 57Fe Mössbauer spectroscopy, SQUID magnetization studies, ESI-MS and DFT calculations.

A tridentate monobasic Schiff base, 2hydroxy-benzoic acid (phenyl-pyridin2-ylmethylene)-hydrazide and its Mn(II), Ni(II), Cu(II) and Zn(II) complexes are synthesized and their molecular structures are determined by single crystal X-ray diffraction and spectral techniques. The molecular structures of the metal complexes are stabilized by various H-bonding and C–H  p interactions.

Octahedral Mn(II) complex with NNO donor Schiff base ligand (HL) containing 8-aminoquinoline moiety with general formula, [Mn(L)2] (1) has been synthesized and characterized. The structural, electronic and photoluminescent properties have studied. Cyclic voltammetry shows Mn(II)/ Mn(III) oxidation couples along with ligand reduction. The electronic structure and spectral properties are interpreted by DFT and TDDFT calculations.

A series of isostructural, microporous [Ln(C8H3NO6)(L)0.5(H2O)]Æ3H2O (Ln = Pr, Nd, Sm, Gd; L = C8H4O4 or C8H4O4/ C8H3NO6) were synthesized using in situ derived ligands. These frameworks display a blue shift in their emission spectra compared with the free ligand.

N

O

CHO O

Mn N

N N

Contents

Monika Tomecka, Janusz Szklarzewicz, Anna Jurowska and Andrzej Wojtczak Polyhedron 81 (2014) 81 Synthesis, structure and properties of oxocyanido W(IV) complexes with substituted salicylaldimines of 2-aminoethanol compared to Mo(IV) analogs

Mehdi Salehi, Mehdi Amirnasr, Soraia Meghdadi, Kurt Mereiter, Hamid R. Bijanzadeh and Ali Khaleghian Polyhedron 81 (2014) 90 Synthesis, characterization, and X-ray crystal structure of cobalt(III) complexes with a N2O2donor Schiff base and ancillary ligands. Spectral, antibacterial activity, and electrochemical studies

A series of W(IV) Schiff base ligand complexes were obtained in reaction of [W(CN)4O2]4) with 2-aminoethanol and 5-bromo-, 5-chloro-, 5-methoxy-, 3,5-dichloro-substituted salicylaldehydes. In case of 3,5-dichlorosalicylaldehyde, the complex only with salicylaldehyde was obtained. The salts were isolated and characterized by elemental analysis, IR and UV–Vis spectroscopy and cyclic voltammetry. Results were compared to molybdenum analogs.

were determined by X-ray diffraction. In all complexes, Co(III) cation had a slightly distorted octahedral environment. The electrochemical reduction of these complexes at a glassy carbon electrode in acetonitrile solution indicates that the first reduction potential of Co(III/II) is irreversible, with the concomitant release of the axial (amine) ligands. The complexes were screened for in vitro antibacterial activities against 4 human pathogenic bacteria and their minimum inhibitory concentrations were determined and good results obtained.

Seven new cobalt(III) complexes were prepared and investigated. These complexes were characterized by FT-IR, 1H NMR, UV–Vis spectroscopy and elemental analysis. The crystal structures

Y. Maximilian Klein, Edwin C. Constable, Catherine E. Housecroft and Jennifer A. Zampese Polyhedron 81 (2014) 98 4¢-(Pyrimidin-5-yl)- and 4¢-(2-methylpyrimidin-5-yl)-4,2¢:6¢,400 -terpyridines: Selective coordination to zinc(II) through the 4,2¢:6¢, 400 -terpyridine domain

T.L. Oliveira, L.H.G. Kalinke, E.J. Mascarenhas, R. Castro, F.T. Martins, J.R. Sabino, H.O. Stumpf, J. Ferrando, M. Julve, F. Lloret and D. Cangussu Polyhedron 81 (2014) 105 Cobalt(II) and copper(II) assembling through a functionalized oxamate-type ligand

Preferential coordination through the outer pyridine donors to zinc(II) halides is observed in 1-dimensional coordination polymers containing 4¢-(pyrimidin-5-yl)- and 4¢-(2-methylpyrimidin-5-yl)-4,2¢:6¢,400 -terpyridine ligands.

The complex formation of Co(II) and Cu(II) ions with the monoethyl ester derivative of the N-(4-carboxyphenyl)oxamic acid yielded different coordination polymers whose structures and variable-temperature magnetic study are presented here.

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Mehdi Ahmadi, Ahad Fasihizad, Barbara Machura, Rafał Kruszynski and Tahere Barak Polyhedron 81 (2014) 115 New complexes of an unsymmetrical tetradentate isothiosemicarbazone: Structural, spectral and thermogravimetric investigations, and their nanoparticles synthesis

Diana-Carolina Ilies, Elena Pahontu, Sergiu Shova, Rodica Georgescu, Nicolae Stanica, Rodica Olar, Aurelian Gulea and Tudor Rosu Polyhedron 81 (2014) 123 Synthesis, characterization, crystal structure and antimicrobial activity of copper(II) complexes with a thiosemicarbazone derived from 3-formyl-6-methylchromone

Piotr Garczarek, Jan Janczak, Marek Duczmal and Jerzy Zon´ Polyhedron 81 (2014) 132 The synthesis, structure and magnetic properties of two cobalt phosphonate salts

Mao-Long Chen and Zhao-Hui Zhou Polyhedron 81 (2014) 142 Syntheses and catalytic oxidation of tetrameric and polymeric copper(II) 1,3-propanediaminetetraacetates

Contents

Four new compounds of an isothiosemicarbazone are synthesized. Structural, spectral and thermogravimetric studies are performed, showing H2L crystallizes as the Z isomer, while the complexes show distorted square-planar and square-pyramidal geometries. Nanoparticles of NiO, CuO and V2O5 are also synthesized.

The structures of the complexes 1 and 2 have been determined by single-crystal X-ray diffraction. In the tetranuclear complex [CuLSO4CuL][CuL(H2O)]2(HSO4)2 10.5H2O (1) each copper atom exhibits a distorted square-planar environment, provided by a tridentate ligand and one oxygen atom originating from either an H2O molecule or an SO42) anion.

Synthesis and structure of two new metal phosphonate salts, as well as their IR spectra and magnetic properties are presented. Both compounds form a threedimensional supramolecular network held together by a number of hydrogen bonds and show paramagnetic behaviour with very weak antiferromagnetic interactions through H-bonds.

Tetrameric copper 1,3-propanediaminetetraacetate was converted to its polymeric and hydrated products under heating. The copper complexes could be used as catalysts for the oxidation of cyclohexane to cyclohexanol and cyclohexanone with yields of 39.4–52.7%. Unsaturated configuration is considered favorably for the conversion.

Contents

Sridevi Yerra, Bharat Kumar Tripuramallu and Samar K. Das Polyhedron 81 (2014) 147 Decavanadate-based discrete compound and coordination polymer: Synthesis, crystal structures, spectroscopy and nano-materials

Mannar R. Maurya, Sarita Dhaka and Fernando Avecilla Polyhedron 81 (2014) 154 Synthesis, characterization, reactivity and catalytic activity of dioxidomolybdenum(VI) complexes derived from tribasic ONS donor ligands

Prasanta Kumar Bhaumik, Sumit Roy, Klaus Harms and Shouvik Chattopadhyay Polyhedron 81 (2014) 168 Formation of novel cadmium(II) tetrazolato complexes with Schiff bases as co-ligands via in situ [3+2] cyclo-addition

Désirée C. Sauer and Hubert Wadepohl Polyhedron 81 (2014) 180 Variable coordination modes of an active ligand periphery in 1,3-bis(2-pyridylimino)isoindolato copper(II) complexes

Two decavanadate based compounds, [{HMTAH}2{Na(H2O)6}2][H2V10O28]Æ6H2O (1) (HMTA = hexamethylenetetramine) and [Na3(H2O)9]2n[V10O28]n (2), have been synthesized from aqueous solutions and structurally characterized. Compound 2 is an organic free coordination polymer exhibiting an emission spectrum in the visible region at room temperature.

Dioxidomolybdenum(VI) complexes of tribasic pentadentate ligands have been isolated and characterized. These molybdenum complexes catalyze the oxidation of styrene and cyclohexene using 30% H2O2 as an oxidant in the presence of sodium bicarbonate.

Five photo-luminescent cadmium(II) complexes have been synthesized and characterized. Weak interactions promote the formation of supramolecular architectures in these complexes.

The anionic ligands X in BPI-copper complexes induce different degrees of coordination of the peripheral ether moieties in the complexation of the metal. Furthermore, the BPIs may act as monoanionic or neutral ligands depending on the protonation status in the isoindoline ligand backbone. This leads to a variety of structural motifs.

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Ariel Adamski, Monika Wałezsa-Chorab, Maciej Kubicki, Zbigniew Hnatejko and Violetta Patroniak Polyhedron 81 (2014) 188 Absorption spectra, luminescence properties and electrochemical behavior of Mn(II), Fe(III) and Pt(II) complexes with quaterpyridine ligand

Jan G. Małecki, Anna Maron´, Tadeusz Gron´ and Monika Oboz Polyhedron 81 (2014) 196 Aryldiazenido ruthenium(II) complexes. Structure and characterization of p-tolyldiazenido carbonyl-ruthenium(II) coordination compound and its reaction with pyrazole and pyridine

The p-tolyldiazenido ruthenium(II) [RuCl2(CO) (PPh3)2(N2PhCH3)] (1), [RuCl2(CO)(PPh3)2 (HPz)2] (2) and [RuCl2(CO)(PPh3)(py)] (3) complexes were synthesized and characterized by IR, 1H, 13C, 31P NMR, electronic absorption and X-ray crystallography. The

_ ¸li, Merve Karaman, Nilgün Arda, Sevil Iris Bircan Dindar and Orhan Büyükgüngör Polyhedron 81 (2014) 203 Palladium and platinum complexes of the new ligands containing P–N and P–O bonds

S.S. Pedro, P. Brandão, F.-N. Shi, J.C.G. Tedesco and M.S. Reis Polyhedron 81 (2014) 210 A new metal organic framework constructed of Co(II) ions six and seven-coordinated: Synthesis, structure and magnetism

Contents

Synthesis of Mn(II), Fe(II) and Pt(II) complexes with dimethylquaterpyridine leads to their crystal structures [MnL(H2O)Cl] [ClO4], [FeLCl2][FeCl4], [PtL][Pt(CH3CN)Cl3]2, in which ligand L acts as tetradentate one (by use mild reaction condition). Interesting structure of organoplatinum(II) complex reveal unique C,N,N¢ mode by use more drastic conditions.

structural parameters showed the bent coordination mode of N2PhCH3 ligand in complex (1) but the measured magnetic susceptibility showed a week response to the ac applied magnetic field and a lack of a Curie–Weiss region means diamagnetism. The most spectacular observation concerns the ZFC-FC splitting, however, the product vÆT versus temperature T is revealing none to the anomaly.

The novel heterocyclic palladium and platinum complexes with new aminophosphinephosphinite type ligands and palladium and platinum complexes were synthesized in good yields and fully characterized with spectroscopic methods and X-ray crystallography. The novel complexes are very effective catalysts on Suzuki–Miyaura cross-coupling reactions of various aryl bromides and aryl chlorides with phenylboronic acid.

Synthesis and crystal packing of [Co(l2biim)62CO(l-H2O)(OH)6] along a axis. The purple polyhedra represent the Co centers. The compound crystallizes in the cubic  (a = 16.0312(6) Å, system, space group Pa3 3 V = 4120.0(3) Å and Z = 4), containing two crystallographically distinct cobalt ions Co(1) and Co(2) six- and sevencoordinated, respectively.

1a

3a

Contents

Polyhedron 81 (2014) 216 Structural, magnetic and quantum-chemical study of dinuclear copper(II) thiophenecarboxylate and furancarboxylate complexes

Gabriella Tamasi, Alice Carpini, Daniela Valensin, Luigi Messori, Alessandro Pratesi, Federica Scaletti, Michael Jakupec, Bernhard Keppler and Renzo Cini Polyhedron 81 (2014) 227

A magnetic, spectral and quantum-chemical study of five dimeric paddle-wheel structures of copper thiophene or furan carboxylates is presented. The molecular structure of [Cu2(5-Me-2-tpc)4(H2O)2]Æ 0.488[(5-Me-2-tpcHÆH2O)2]Æ0.012[Cu(5-Me2-tpc)2(H2O)2] as an example of the studied complexes is shown in the graphical abstract.

Two fac-[RuII(CO)3Cl2(azole)] complexes that were synthesized and structurally characterized showed significant dissociation of chloride, azole and CO ligands in aqueous media. The coordination residues interact with model proteins.

14303.81

100 95 90 85 80 75 70 65

Lysozyme (Lys) 37°C 72h

Relative Abundance

Jozef Svorec, Petra Polakovicˇová, Ján Moncol, Vladimír Kuchtanin, Martin Breza, Stanislava Šoralová, ˇ ka Padeˇlková, Jerzy Mrozinski, Zden Tadeusz Lis and Peter Sega

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14538.70

60 55

14431.70

50 45 40 14459.69

35 30

14570.73

25 20 14509.71

15

14652.78

5 14200

Daniela R. Truzzi and Douglas W. Franco Polyhedron 81 (2014) 238 Stability of phosphite coordinated to ruthenium(II) in aqueous media

Murat Aydemir, Khadichakhan Rafikova, Nurzhamal Kystaubayeva, Salih Pas¸a, Nermin Meriç, Yusuf Selim Ocak, Alexey Zazybin, Hamdi Temel, Nevin Gürbüz and Ismail Özdemir Polyhedron 81 (2014) 245 Ionic liquid based Ru(II)–phosphinite compounds and their catalytic use in transfer hydrogenation: X-ray structure of an ionic compound 1-chloro-3(3-methylimidazolidin-1-yl)propan-2-ol The synthesis and characterization of novel phosphinite ligands based on ionic liquids and their corresponding ruthenium(II)–arene complexes are described. These ligands and their corresponding complexes have been

Hydrolysis rate constants for phosphites coordinated to [Ru(NO)(NH3)4]3+ and [Ru (H2O)(NH3)4]2+ fragments are described. The data indicate that Michaelis–Arbuzov mechanism for hydrolysis reaction is the favourable in coordinated phosphites. The knowledge of how achieve phosphites hydrolysis stability is useful in tailoring new complexes for catalytic and medical applications.

characterized by a combination of multinuclear NMR and IR spectroscopy, TGA/DTA, elemental analysis and X-ray analysis. 1H–{31P} NMR, 1H–13C HETCOR or 1H–1H COSY correlation experiments were used to confirm the spectral assignments. The molecular structure of the ionic compound 1 was also determined by an X-ray single crystal diffraction study. Furthermore, the catalytic activity of complexes 4–7 in the transfer hydrogenation of various ketones was investigated. To the best of our knowledge, there is no report on the utility of this type of complex, including phosphinite ligands and based on ionic liquids, in Ru(II) catalyzed transfer hydrogenation reactions. These complexes were found to be efficient catalysts in the transfer hydrogenation of various ketones with excellent conversions of up to 99% in the presence of 2-propanol/KOH. Specifically, [Ru((Cy2PO)–C7H14N2Cl) (g6-benzene)Cl2]Cl (5) and [Ru((Cy2PO)–C7H14N2Cl) (g6-p-cymene)Cl2]Cl (7) act as excellent catalysts, giving the corresponding alcohols in 98–99% conversions in 5 min (TOF 1188 h)1).

14699.77

14402.71

14265.79

0

[Ru(CO)3Cl2(MIM)]

{Ru(CO)x}-core complexes with selected azoles: Synthesis, X-ray structure, spectroscopy, DFT analysis and evaluation of cytotoxic activity against human cancer cells

14588.75

14325.79

10

14300

14400

14500

14600

14700

14745.62

14827.64 14873.70

14800

14900

m/z

{Ru(CO)2(Lys)} + {Ru(CO)(Lys)} + CO + Cl- + MIM

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Azizolla Beheshti, William Clegg, Valiollah Nobakht and Ross W. Harrington Polyhedron 81 (2014) 256 Design, synthesis, and structures of two-dimensional copper(I) coordination polymers by variation of co-ligands in a facile one-pot reaction

R.K. Dani, M.K. Bharty, S.K. Kushawaha, Om Prakash, V.K. Sharma, R.N. Kharwar, Ranjan K. Singh and N.K. Singh Polyhedron 81 (2014) 261 Syntheses, spectral and structural characterization of trinuclear and mononuclear Zn(II) complexes of N¢benzoyl hydrazine carboperthioate and 5-phenyl-1,3,4oxadiazole-2-thione: An approach to DFT calculation, antibacterial and thermal studies Potassium N¢-(benzoyl)-hydrazine carbodithioate forms novel complexes [Zn3(l-bhcp)2(py)4] (1) and [Zn(phot)2(en)2] (2) containing newly generated ligands N¢benzoyl hydrazinecarboperthioate (bhcp)3) and 5-phenyl-1,3,4-oxadiazole-2-thione (phot)) which have been characterized by elemental analyses, m.p, IR, NMR and

Chun-Wei Yeh, Chi-Hui Tsou, Fu-Chang Huang, Ay Jong and Maw-Cherng Suen Polyhedron 81 (2014) 273 Structural diversity in the self-assembly of Ag(I) complexes containing dicyano and quinolinyl ligands

Contents

Reaction of CuI or CuBr and the ligand bbd having two pyrazole rings linked by a (CH2)4 chain gives complexes in which parallel [Cu2X2]n staircase polymers are linked into polymeric sheets by l-bbd ligands with a fully extended conformation. These ladders and sheets have essentially the same geometry, but pack differently in the two polytypic structures.

single crystal X-ray data. During complexation, potassium N¢-(benzoyl)-hydrazine carbodithioate is converted to N¢benzoyl hydrazinecarboperthioate (oxidized ligand having a S–S linkage) and 5-phenyl-1,3,4-oxadiazole-2thione in the presence of pyridine and ethylenediamine (en), respectively which act as secondary ligands. The crystal structure of complex 1 reveals that the ligand is acting as trinegative pentadentate ON2S2, bonded to terminal zinc as ONS dinegative tridentate and to the other as NS uninegative bidentate. In the trinuclear complex 1, both terminal zinc atoms have distorted square pyramidal geometry and the middle zinc has tetrahedral geometry. Complex 2 has distorted octahedral geometry where central atom is bounded to two en and two oxadiazoles anions. The geometry of the complexes has also been optimized by the DFT method and the results of which are presented and compared with the Xray diffraction data. The bioefficacy of the ligand and complexes has been examined against the growth of bacteria in vitro to evaluate their anti-microbial potential.

The syntheses and crystal structures of three new coordination polymers containing 2,6-dimethyl-3,5-dicyano-4-(3-quinolinyl)-1,4-dihydropyridine, and 2,6-diamino3,5-dicyano-4-(3-quinolinyl)-2,5-heptadiene, are reported. Complexes 1–3 show 0-D molecular complex, 1-D ladder-like chain and 2-D polymeric net.

N CN CH3

CH3OH

Polyhedron 81 (2014) 282 Synthesis, structure and magnetic properties of a 1D coordination polymer of Cu(II) containing phenoxido and dicyanamido bridging groups

AgClO4 CH3OH

CH3

L1

[Ag(L1)(CF3SO3)]n, 1

{[Ag(L1)2 ](ClO4)}n, 2

N CN NH2 CH3 H2N

CN

L2

The structure of a new 1D coordination polymer of CuII with a carbohydrazone based ligand and dicyanamide bridges was determined. The magnetic and spectroscopic properties of the coordination network were studied.

NH

NC

CH3

Rahman Bikas, Hassan Hosseini-Monfared, Maria Korabik, Marta S. Krawczyk and Tadeusz Lis

AgCF3SO3

AgClO4 CH3CN

{[Ag2(L2)2](ClO4 )2

. 2CH CN .H O}n, 3 3

2

Contents

Márcia C. de Souza, Chris H.J. Franco, Carlos B. Pinheiro and Renata Diniz Polyhedron 81 (2014) 290 Conformational polymorphism of a zinc complex with enalapril antihypertensive drug

Subrata Jana and Shouvik Chattopadhyay Polyhedron 81 (2014) 298 Design and construction of copper(I) complexes based on flexi-dentate cyclic N2-donor Schiff bases via in situ reduction of copper(II) precursors

Lage Pettersson, Dan-Göran Lyxell and Ingmar Persson Polyhedron 81 (2014) 308 A structural study of D-mannitolatodimolybdate(VI) complexes in aqueous solution

Kirill V. Zaitsev, Yuri F. Oprunenko, Andrei V. Churakov, Galina S. Zaitseva and Sergey S. Karlov Polyhedron 81 (2014) 312 The reaction of Al(O-i-Pr)3 with the SalenH2 ligand: An unexpected product

The crystal structure of an enalapril-Zn complex was determined by X-ray diffraction. Enalapril-Zn showed an irreversible order-disorder structural phase transition. Symmetry changes from C222 at room temperature to P212121 at 150 K were observed. Phases I and II presented the polymorphism phenomenon.

Three novel copper(I) coordination complexes have been synthesized via in situ reduction of copper(II) precursors under ambient conditions and they have been characterized by elemental analysis, IR and UV–Vis spectroscopy and single-crystal X-ray diffraction studies.

The structure of the D-mannitolatodimolybdate(VI) complex has been determined in aqueous solution at two pH values, 2.0 and 5.5. The complexes consist of two face-sharing molybdate(VI) octahedra connected to one D-mannitol ligand, as previously observed in the solid state. At deprotonation the Mo  Mo distance decreases by 0.054 Å.

An unusual binuclear aluminum complex (2) in which two [(Salen)Al] fragments are connected by a bridging Salen ligand was obtained. The structure of 2 was investigated in solution and in the solid state by various physical methods. It is established that the structure of the ligand determines the metal nuclearity of complex formed.

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Ekta Arora, K.K. Bhasin, S.K. Mehta, Nidhi Sharma, A.K.K. Bhasin, Claus Jacob, Vítor Félix and Subhadip Neogi Polyhedron 81 (2014) 316 Synthesis of new organochalcogen (Se or Te) based multifunctional pyrimidine derivatives: X-ray structure determination of 2,4-bis(arylchalcogenyl)pyrimidine and 2-chloro-4,6-bis(arylchalcogenyl)pyrimidine compounds

Ankita Solanki and Sujit Baran Kumar Polyhedron 81 (2014) 323 Syntheses and structural studies of cobalt(II), nickel(II), zinc(II) and cadmium(II) selenocyanate complexes with a tetradentate N4-donor ligand

N.M. Rajendran, K. Maheswari and N. Dastagiri Reddy Polyhedron 81 (2014) 329 Cu(II) complexes of sterically and electronically divergent b-diketiminate ligands: Structural and electrochemical aspects

Joen J. Hermans, Katrien Keune, Annelies van Loon, Robert W. Corkery and Piet D. Iedema Polyhedron 81 (2014) 335 The molecular structure of three types of longchain zinc(II) alkanoates for the study of oil paint degradation

Contents

The synthesis and characterisation of a new class of multinucleating pyrimidine chalcogen (Se/Te) derivatives, i.e. 2,4-bis(arylchalcogenyl)pyrimidine and 2-chloro-4, 6-bis(arylchalcogenyl)pyrimidine compounds, have been reported. The crystal structures of 2,4-bis(naphthalen-1-ylselanyl)pyrimidine (1c), 2,4-bis(phenyltelluryl) pyrimidine (1d), 2-chloro-4,6-bis(phenylselanyl)pyrimidine (2a) and 4,6-bis(p-tolylselanyl)-2-chloropyrimidine (2b) have been confirmed by X-ray crystallographic analysis.

The synthesis and structural characterization of four new mononuclear selenocyanide containing complexes [M(NCSe)(dbdmp)]ClO4 [M = Co(II), Zn(II)], [Ni(dbdmp) (NCSe)2] and [Cd(dbdmp) (SeCN)2], where dbdmp = N,Ndiethyl-N¢,N¢-bis((3,5-dimethyl-1H-pyrazol-1-yl) methyl)ethane-1,2-diamine, have been discussed. Single crystal X-ray diffraction studies showed [Co(NCSe)(dbdmp)]ClO4 and [Zn(NCSe) (dbdmp)]ClO4 have a distorted trigonal bipyramidal geometry, whereas complexes [Ni(NCSe)2(dbdmp)] and [Cd(dbdmp)(SeCN) have a distorted octahedral geometry.

Reactions of Cu(OAc)2 with –CN substituted b-diketimine ligands in a mixture of CHCl3 and CH3OH afforded the mononuclear complexes [LCu(OAc)], whereas –NO2 substituted ligands afforded hydroxy bridged dinuclear [LCu(OH)]2 complexes. Most of the complexes were characterized by single crystal X-ray diffraction studies. The effect of substitution on the donor ability of the ligands is evaluated by probing the electrochemical behavior of the complexes.

The molecular structures of long-chain zinc(II) alkanoates were studied by FTIR and XRD as references for oil paintings research. It was found that zinc mixed metal complexes form with sodium and potassium. The carboxylate coordination geometries and chain tilts in long-chain structures are very similar to those in short-chain complexes.

ZnNa2(Cn)4 single crystal PXRD 50 (literature) (this work)

40

30

dL

xiv

20

Zn(Cn)2

10

0

0

5

10

n

15

20

Contents

Andrey Vendilo, Konstantin Popov, Marja Lajunen, Vyacheslav Chistov, Dmitry Djigailo, Hannu Rönkkömäki, Viktor Privalov and Igor Pletnev Polyhedron 81 (2014) 341 A cesium-133 nuclear magnetic resonance study of the cesium cation omplexation by macrocyclic polyethers in hydrophobic RITLs

Iman Khosravi, Masoud Mirzaei, Antonio Bauzá, Antonio Frontera and Melika Eftekhar Polyhedron 81 (2014) 349 A new oxo centered basic p-chlorobenzoate bridging heterotrinuclear complex, [Cr2MnO(C7H4O2Cl)6(Py)3]C7H5O2Cl: Synthesis, X-ray crystal structure and theoretical DFT study

Louise M. Diamond, Fergus R. Knight, David B. Cordes, Amy L. Fuller, Alexandra M.Z. Slawin and J. Derek Woollins

Thermodynamic data for cesium complexes formation with 18-crown-6 in five hydrophobic room temperature ionic liquids (RTIL): trioctylmethylammonium salicylate ([TOMA][Sal]), tetrahexylammonium dihexylsulfosuccinate ([THA][DHSS]), 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF6]), 1-butyl3-methylimidazolium bis[(trifluoromethyl) sulfonyl]imide ([BMIM][N(Tf)2]), 1-hexyl-3methylimidazolium bis[(trifluoromethyl)sulfonyl]imide ([HMIM][N(Tf)2]) as well as with 12-crown-4 and 15-crown-5 in [BMIM][N(Tf)2] are measured with NMR 133s technique at 27–50 C.

Here, we report the synthesis and X-ray characterization of a new CrIII2MnII cluster using p-chlorobenzoic acid as a bridging carboxylate ligand, namely [CrIII2MnIIO (C7H4O2Cl)6(Py)3]C7H5O2Cl (1). We have focused our attention on the crucial role of halogen bonding interactions in determining the solid state architecture of 1. In addition, we have studied the influence of the carboxylate coordination on the ability of the chlorine to form halogen bonding interactions by means of DFT calculations in a model system.

Facile synthesis of the first metal complexes from the naphthalene sulfonate dianion is described.

Polyhedron 81 (2014) 356 Platinum bisphosphine naphthosultone

complexes

of

1,8-

Iva Honzícˇková, Jan Honzícˇek, ˇ ka Padeˇlková Jaromír Vinklárek and Zden Polyhedron 81 (2014) 364 Allyl molybdenum(II) and tungsten(II) compounds bearing bidentate and tridentate pyrazolylmethane ligands

The series of molybdenum and tungsten complexes bearing bidentate and tridentate pyrazolylmethane ligands was synthesized and characterized by the spectroscopic methods. Two structure types were determined by the X-ray diffraction analysis.

xv

RTIL

RTIL

RTIL

RTIL

xvi

Kit May Chow and Kong Mun Lo Polyhedron 81 (2014) 370 Synthesis, spectral characterization and crystal structures of benzyltin complexes with (E)-4chloro-N¢-(2-hydroxy-4-methoxybenzylidene)benzohydrazide

Shou-Wen Jin, Xiang-Hang Ye, Li Jin, Lu Zheng, Jing-Wen Li, Bin-Peng Jin and Da-Qi Wang

Contents

The reactions of the Schiff base ligand (E)4-chloro-N¢-(2-hydroxy-4-methoxybenzylidene)benzohydrazide with substituted dibenzyltin dichlorides afforded either monobenzyltin or dibenzyltin complexes, depending on the reaction conditions and the benzyl substituents. The subsequent reaction of a monobenzyltin complex with 4,4-bipyridine yielded a co-crystal containing the methanol coordinated monobenzyltin complex and 4,4-bipyridine.

Due to the synergetic effect of weak non-covalent bonding interactions, the complexes display 2D–3D structures.

Polyhedron 81 (2014) 382 Syntheses and structural characterization of nine coordination compounds assembled from copper acetate, 3,5-dimethylpyrazole and carboxylates

Polyhedron 81 (2014) 409 A kinetic study of the oxidation of hydrazine by tris(1,10-phenanthroline)iron(III) in acidic medium

The kinetics of the oxidation of hydrazine by FeIII(phen)33+ was studied as a function of [H+], ionic strength and temperature under pseudo first order conditions, while allowing for the decomposition of Fen(phen)3n+ (n = 2 or 3).

FeIII(phen)33+ + N2H4 + H+

3.0

0.7

2.0

1.0

-1.5

0.5

0.3

0.0 0.0

-1.8

-2.1 0.0

4.0

8.0

10-1 Time (s)

0.0

0.5

10-2 1/kobsd , s

Ali A.G.A. Al Mahdi, Mohammed A. Hussein, Chris C. Joubert, Jannie C. Swarts and C. Robert Dennis

102 kobsd , s-1

Low-dimensional compounds containing cyanido groups. XXVI. Crystal structure, spectroscopic and magnetic properties of Co(II) complexes with non-linear pseudohalide ligands

ln(A - At)

Polyhedron 81 (2014) 396

Five Co(II)-L-X complexes, where L = 1,10phenanthroline (phen) or 2,2¢-bipyridine (bpy) and X = dicyanamide (N(CN)2)) or tricyanomethanide (C(CN)3)) anions, have been synthesized and characterized by single crystal X-ray diffraction studies. The dca and tcm anions exhibit monodentate or l1,5-bidentate bridging modes. In two complexes, tcm acts as a counter-ion, too. The magnetic properties of all the complexes are discussed.

Absorbance

ˇ ák, Lucia Váhovská, Ivan Potocˇn Svitlana Vitushkina, Michal Dušek, Ján Titiš and Roman Bocˇa

1.0

10–3 Time , s

1.5

2.5 1.5 0.5 0.0 5.0 10.0 10-2 1/[N2H4] , M-

1.0 [N2H4] , M

2.0

FeII(phen)32+ + N2(g) + 5H+

Contents

Rodrigo Faundez-Gutierrez, Desmond Macleod-Carey, Ximena Zarate, Carlos Bustos, Elies Molins and Eduardo Schott

Synthesis and characterization of compounds containing the pyrazole nuclei.

Polyhedron 81 (2014) 414 Synthesis, characterization and DFT study of a new family of pyrazole derivatives

Lukáš Krivosudsky´, Peter Schwendt, ˇ ák Róbert Gyepes and Zdirad Z Polyhedron 81 (2014) 421 X-ray structure analysis, electronic and vibrational circular dichroism of chiral-at-metal dioxidovanadium(V) complexes with amino acids derived Schiff base ligands

Satyajit Mondal, Piyali Adak, Chandrima Das, Sumita Naskar, Bholanath Pakhira, Arnold L. Rheingold, Ekkehard Sinn, Carla Sue Eribal and Shyamal Kumar Chattopadhyay Polyhedron 81 (2014) 428 Synthesis, X-ray crystal structures, spectroscopic and electrochemical studies of Zn(II), Cd(II), Ni(II) and Mn(II) complexes of N1,N4bis(pyridoxylidene)triethylenetetramine

Hüsnüye Ardıç Alidag˘ı, Bünyemin Ços¸ut, Adem Kılıç and Serkan Yes¸ilot Polyhedron 81 (2014) 436 Synthesis and spectral properties of a hexameric pyrene-fluorene chromophore based on cyclotriphosphazene

The absolute configuration on the vanadium atom in five new chiral dioxidovanadium Schiff base complexes derived from L -valine, L -leucine, L -histidine, L -threonine and D -threonine is discussed by the means of X-ray single crystal analysis, electronic and vibrational circular dichroism.

Mononuclear complexes of Zn(II), Cd(II), Ni(II) and Mn(II) with a N4O2-donor pyridoxal Schiff base ligand are reported. DFT calculations indicate metal ligand covalence follows the order Ni(II) Mn(II) > Zn(II) » Cd(II). The Zn(II) specific fluorescence enhancement indicates that the ligand may be used as a fluorogenic sensor for Zn(II).

A new fluorene substituted methoxybenzene-pyrene chromophore (3) and its hexameric cyclic phosphazene derivative (5) were synthesized. The spectral properties of the hexameric structure were investigated by thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), UV–Vis, fluorescence spectroscopy and cyclic voltammetry (CV).

xvii

xviii

Subhi A. Al-Jibori, Zana S. Afandi, Kurt Merzweiler, Christoph Wagner, Harry Schmidt, Sucharita Basak-Modi and Graeme Hogarth Polyhedron 81 (2014) 442 Mercury(II) saccharinate (sac) complexes: Synthesis and molecular structures of [Hg(sac)2 (2-ampy)2], [Hg(sac)2(2-ampy)(MeOH)], [Hg(sac)2(2-abt)(MeOH)], [Hg(sac)2(2-abt)(dmso)] (2-ampy = 2-aminopyridine, 2-abt = 2-aminobenzothiazole)

Wei-Wei Ni, Xi Chen, Ai-Li Cui, Cai-Ming Liu and Hui-Zhong Kou Polyhedron 81 (2014) 450 Synthesis, crystal structure and magnetic properties of cyanide-bridged one-dimensional Ni(II)–Fe(III) complexes based on pentacyanoferrite

Abeer A. Ibrahim, Hamid Khaledi and Hapipah Mohd Ali Polyhedron 81 (2014) 457 A multiprotic indole-based thiocarbohydrazone in the formation of mono-, di- and hexa-nuclear metal complexes

J. Palion-Gazda, B. Machura, T. Klemens and J. Kłak Polyhedron 81 (2014) 465 Pseudohalide manganese(II) complexes of 2hydroxymethylbenzimidazole – Synthesis, spectroscopy, X-ray structure and magnetic properties

The paper concerns three new manganese(II) complexes of 2-hydroxymethylbenzimidazole [Mn(hmbzim)2(NCS)2] (1), [Mn2(hmbzim)4 (l1,1-N3)2](NO3)2 (2) and [Mn(hmbzim)2 (dca)2]n (3) characterised by X-Ray analysis, IR, UV–Vis and magnetic measurements. On

Contents

[Hg(sac)2] is a useful precursor towards a range of four-coordinate Hg(II) bis(saccharinate) complexes. Addition of two equivalents of substituted pyridines (L) affords tetrahedral HgN4 complexes, [Hg(sac)2L2], while with 2-aminopyridine in MeOH the HgN3O species [Hg(sac)2 (2-ampy)(MeOH)] is selectively formed. Reactions with 2-aminobenzothiazole (2-abt) in various solvents selectively yield related HgN3O solvent-stabilized complexes, [Hg(sac)2 (2-abt)(S)]. Crystal structures of four of these complexes are presented with all adopting a distorted tetrahedral coordination geometry at mercury.

[Fe(CN)5(L)]2) (L = imidazole or 1-methylimidazole) have been used for the first time to construct cyanide-bridged 1D Ni(II)– Fe(III) complexes. Ferromagnetic interaction between FeIII and NiII was observed, and the strength of the magnetic coupling has been found to be related to the Ni– Ncyano bond distances and Ni–NBC bond angles.

Bis(indole-7-carbaldehyde)thiocarbohydrazone, carrying four labile hydrogens, shows variable degrees of deprotonation and coordination modes to form mononuclear NiII, PdII and PtII, dinuclear CuI and PdII and hexanuclear AgI complexes.

the basis of structural data, the influence of pseudohalide ions on a final complex structure and role of weak intermolecular interactions in creation of molecular architecture have been discussed. Magnetic measurements revealed ferromagnetic coupling (J = 0.82(1) cm)1) inside the dimer of 2 and weak antiferromagnetic coupling (J = )0.37(1) cm)1) in 2D lattice of 3. The complex 1 indicated a very small antiferromagnetic interaction between MnII ions transmitted in the crystal lattice.

Contents

Monika E. Lipin´ska, João P. Novais, Susana L.H. Rebelo, Belén Bachiller-Baeza, Inmaculada Rodríguez-Ramos, Antonio Guerrero-Ruiz and Cristina Freire

The hybrid material of graphite oxide (GO) intercalated with an iron(III) porphyrin was obtained by the silylation reaction of GO with 3-bromotrimethoxypropylsilane followed by metalloporphyrin immobilization in anhydrous solvent.

Polyhedron 81 (2014) 475 Microwave-assisted silylation of graphite oxide and iron(III) porphyrin intercalation

Pedro S. Pereira da Silva, Pablo Martín-Ramos, Manuela Ramos Silva, Victor Lavín, Pedro Chamorro-Posada and Jesús Martín-Gil Polyhedron 81 (2014) 485 X-ray analysis, molecular modeling and NIRluminescence of erbium(III) 2,4-octanedionate complexes with N,N-donors

Mizuki Yoshida, Takuya Kanetomo, Hiroki Muroyama, Takayuki Ishida and Tamizo Kogane Polyhedron 81 (2014) 493 Metal–organic frameworks from two-dimensional copper(II) complexes bridged with N-methylpyrazine-2-carboxamide

Abbas Washeel Salman, Ghani Ur Rehman, Norbani Abdullah, Srinivasa Budagumpi, Salasiah Endud, Hassan Hadi Abdallah and Wen Yee Wong Polyhedron 81 (2014) 499 Sterically modulated palladium(II))N-heterocyclic carbene complexes for the catalytic oxidation of olefins: Synthesis, crystal structure, characterization and DFT studies

The synthesis and structure of three new erbium(III) 2,4-octanedionate complexes are reported, together with calorimetric, FTIR and Raman spectroscopy data and photoluminescent characterization of the materials. Upon ligand excitation, the complexes show significant near-infrared luminescence at 1530 nm due to antenna effect. These complexes can potentially be applied to infrared OLEDs.

Two kinds of mpyza-bridged copper(II) complexes, [Cu(mpyza)2](BF4)2Æ2H2O (1) and [Cu(mpyza)2](PF6)2Æ1.5H2O (2) were prepared (mpyza = N-methylpyrazine-2-carboxamide). Their crystal structures have been determined, and, despite the different space groups (Pc and P21/c for 1 and 2, respectively), they exhibit a similar metal–organic framework. Four Cu ions construct rectangular arrangement providing an infinite molecular two-dimensional grid, which have an equatorial-axial-type coordinated pyrazine bridge. Compounds 1 and 2 contain two or one and a half uncoordinated water molecules in a void space.

A series of palladium(II)–NHC complexes of benzimidazol-2-lyidines were prepared using the technique of transmetallation from their corresponding silver(I) complexes. The palladium(II) complexes displayed good activity in the epoxidation of 1-octene and styrene.

xix

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Vassilios Vassiliadis, Charalampos Triantis, Catherine P. Raptopoulou, Vassilis Psycharis, Aris Terzis, Ioannis Pirmettis, Minas S. Papadopoulos and Dionysia Papagiannopoulou Polyhedron 81 (2014) 511

Contents

Synthesis and X-ray study of carbonyl rhenium complexes with 2-mercaptopyridine fac-[Re(CO)3(Spy)]2, fac-[Re(CO)3 (PPh3/BnNC)(Spy)] and cis, trans-[Re(CO)2 (PPh3)2(Spy)]. Investigation of conditions to prepare ‘‘2 + 1’’ fac-[99mTc(CO)3(PPh3/ BnNC)(Spy)] as lead structures for 99mTc radiopharmaceuticals.

Synthesis, structural characterization and radiochemistry of ‘‘2 + 1’’ fac-[99mTc/Re(CO)3(L) (2-mercaptopyridine)] complexes, where L is phosphine or isocyanide

Qing Chen, Xiao-Fang Wang, Huai-Ming Hu, Jin Wang, Ran An, Fa-Xin Dong, Meng-Lin Yang and Gang-Lin Xue Polyhedron 81 (2014) 517 Effect of pH on the construction of lead coordination polymers by the diverse coordination modes of sulfonate functionalized imidazophenanthroline derivative ligand

Volkan Çakır, Halit Kantekin, Zekeriya Bıyıklıog˘lu and Atıf Koca Polyhedron 81 (2014) 525 Synthesis, electrochemistry, spectroelectrochemistry and electropolymerization of metalfree and metallophthalocyanines

Ming-Yuan Xie, Tung-Han Li, Pin-Ju Lu, Kedar Bahadur Thapa, Wayne Hsu and Jhy-Der Chen Polyhedron 81 (2014) 534 Structure-directing role of the asymmetric methyl-4-(pyrimidin-2-ylcarbamoyl)benzoate ligand in the self-assembly of Co(II), Ni(II), Cu(II) and Cu(I) complexes

Three lead coordination polymers were prepared. With the increase of pH value, 1D linear chain structure, 2D double layer structure and 3D network of complexes 1– 3 were respectively obtained, which suggest that the pH value have a key impact on the construction of coordination polymers. The photoluminescence and thermal stability of 1–3 were also studied.

The synthesis and characterization of new phthalocyanines. An investigation of the electrochemical properties of the phthalocyanines. Determination of the electropolymerization of the complexes.

Four types of ligand conformation-coordination mode, cis-bidentate, cis-tridentate, trans-bidentate and trans-tridentate, are observed for the methyl-4-(pyrimidin-2ylcarbamoyl)benzoate (L) ligand in nine Co(II), Ni(II), Cu(II) and Cu(I) metal complexes, resulting in mononuclear structures for 1–6, 2D layers for 7 and 8 and a 1D chain for 9. C–H  p and p  p interactions and various hydrogen bonds are found in these complexes which extend the dimensionalities of the structures, and the structural types of the copper halide aggregates in 7–9 are unique.

Re1

Re2

Re3

Contents

Brandon S. Stone and Robert L. LaDuca Polyhedron 81 (2014) 542 Steric effects on the structure of copper malonate coordination polymers containing 1,3-di(4-pyridyl)propane

Gao-Feng Wang, Lei Chen, Xiao-Jiao Song, Yi-Zhi Li, Xue-Tai Chen and Zi-Ling Xue Polyhedron 81 (2014) 550 Synthesis and structural characterization of two heterometallic hybrids containing 0-D and 1-D bromoplumbate anions

Zuzana Vasková, Nives Kitanovski, Zvonko Jaglicˇic´, Peter Strauch, ˇ ka Ru˚zˇicˇková, Dušan Valigura, Zden Marian Koman, Bojan Kozlevcˇar and Jan Moncol Polyhedron 81 (2014) 555 Synthesis and magneto-structural characterization of copper(II) nitrobenzoate complexes containing nicotinamide or methylnicotinamide ligands

Mario A. Reynoso-Esparza, Irma I. Rangel-Salas, A. Aarón Peregrina-Lucano, José G. Alvarado-Rodríguez, Fernando A. López-Dellamary-Toral, Ricardo Manríquez-González, María L. Espinosa-Macías and Sara A. Cortes-Llamas Polyhedron 81 (2014) 564 Synthesis and characterization of Au(I) and Au(III) complexes containing N-heterocyclic ligands derived from amino acids

The structure of copper malonate coordination polymers with 1,3-di(4-pyridyl)propane (dpp) depends critically on the steric bulk of the malonate ligand. Using the unsubstituted malonate (mal), {[Cu(dpp)2 (H2O)][Cu(mal)2(dpp)][Cu(mal)(dpp)(H2O)]Æ 12H2O}n was obtained. It shows a rare 2D + 1D + 1D fi 3D topology.

Two novel heterometallic organic–inorganic hybrids, [Co(terpy)2]4[Pb8Br24Æ2(DMF)]Æ 8(DMF) (1) and {[Co(terpy)2]4 [Pb16Br40]Æ H2O}n (2), with unprecedented structures were synthesized and structurally characterized. Compound 1 contains the highest nuclearity for Pb–Br anion clusters to date, while compound 2 is the first example incorporating a PbBr7 unit in bromoplumbate complexes.

A role of the amido moieties and water molecules via coordination and H-bonding in the sensitive self assembly.Two mononuclear and three dimeric copper(II) nitrobenzoates complexes were investigated by taking the susceptibility. Both monomeric compounds are paramagnetic, while the dimeric compounds reveal strong antiferromagnetic (AFM) coupling.

A family of water soluble gold(I) complexes with NHC carbene ligands derived from amino acids were prepared via the direct transmetalation reaction of the respective silver NHC complexes. The oxidative addition of Br2 to Au(I)-NHC complexes was studied and the crystal structure of [AuBr3(NHC)] compound derived from alanine is presented.

xxi

xxii

M. Makohusová, V. Mrázová, W. Haase and R. Bocˇa Polyhedron 81 (2014) 572 Magnetostructural J-correlations in complexes with tetrahedro-{Cu4} core

K. Neuthe, C.S. Popeney, K. Bialecka, A. Hinsch, A. Sokolowski, W. Veurmann and R. Haag Polyhedron 81 (2014) 583 Simple NIR complexes and their applicability in dye-sensitized solar cells

Balasubramaniam Arul Prakasam, Manu Lahtinen, Anssi Peuronen, Manickavachagam Muruganandham, Erkki Kolehmainen, Esa Haapaniemi and Mika Sillanpää Polyhedron 81 (2014) 588 Synthesis, NMR spectral and single crystal X-ray structural studies on Ni(II) dithiocarbamates. Fabrication of nickel sulfide nanospheres by the solvothermal method

Mariia V. Pavliuk, Valeriya G. Makhankova, Oleksiy V. Khavryuchenko, Vladimir N. Kokozay, Irina V. Omelchenko, Oleg V. Shishkin and Julia Jezierska Polyhedron 81 (2014) 597 Decavanadates decorated with [Cu(en)2]2+: Convenient synthetic route, crystal structures and analysis of vibrational spectra

Contents

Structural and magnetic data for 41 tetrahedro-{Cu4} complexes were subjected to cluster analysis, the principal component analysis, and the factor analysis capable of classification into six clusters according to the similarity. Exchange coupling constants, J2 and J4, correlate with averaged Cu–O–Cu angles in the bases (b) and walls (a) of the cubane structure, respectively.

Near infrared absorbing nickel and palladium centered complexes were synthesized and examined concerning their applicability as sensitizers in dye-sensitized solar cells. The energy levels of the complexes were tuned by the introduction of different electron withdrawing groups. Complexes Ni–Prop and Pd–Tolyl showed appropriate optical and energetic properties and could successfully be employed for photoconversion in a dye-sensitized solar cell.

Three new dithiocarbamatonickel(II) complexes were prepared and analyzed by NMR and single crystal XRD. Nickel sulfide nanospheres were prepared by the solvothermal method and their morphology was examined with SEM and TEM. The product was identified as vaesite, with an average crystal size of about 22 nm.

Three heterometallic Cu/V compounds were obtained by the direct dissolution of copper and V2O5 in aqueous solution. The mechanism was studied by EPR spectroscopy. The products were characterized by single crystal X-ray analysis and IR spectroscopy supported by DFT calculations.

h·ν

900 nm

Contents

Polyhedron 81 (2014) 607 Enhanced nonlinear optical properties of octasubstituted lead and cadmium phthalocyanines when embedded in poly(bisphenol A carbonate) as thin films

Cd and Pb 2,3-[octakis{4-tert-butylphenoxyphthalocyanines}] were embedded in poly (methyl methacrylate) (PMMA) or poly(bisphenol A carbonate) (PBC) polymers as thin films with improved optical limiting in the later polymer.

1.2

Transmiance

Colin Mkhize, Jonathan Britton and Tebello Nyokong

xxiii

1

data fit

0.8

0.6 -4

Xiaolin Lei, Wei Su, Peiyuan Li, Qi Xiao, Shan Huang, Quanquan Qian, Chusheng Huang, Danni Qin and Hongxian Lan Polyhedron 81 (2014) 614 Ruthenium(II) arene complexes of curcuminoids: Synthesis, X-ray diffraction structure and cytotoxicity

Rajendran Manikandan, Panneerselvam Anitha, Govindan Prakash, Paranthaman Vijayan and Periasamy Viswanathamurthi Polyhedron 81 (2014) 619 Synthesis, spectral characterization and crystal structure of Ni(II) pyridoxal thiosemicarbazone complexes and their recyclable catalytic application in the nitroaldol (Henry) reaction in ionic liquid media

Lu Li, Xiuhui Zhang, Qian-shu Li and R. Bruce King Polyhedron 81 (2014) 628 Butterfly versus tetrahedral cluster structures for the unsaturated tetracobalt carbonyls Co4 (CO)n (n = 10, 9): Major differences between cobalt and iridium

-3

-2

-1

0

1

z-posion (cm)

2

Two ruthenium-arene complexes containing curcuminoid ligands, (g6-cymene) Ru(Cur)Cl, were synthesized and structurally characterized by X-ray diffraction. The compounds have been tested for their antiproliferative activity against three human cancer cell lines. Furthermore, the interactions of the complexes with DNA were followed by electrophoretic mobility spectrometry studies.

Three new nickel(II) pyridoxal N(4)substituted thiosemicarbazone complexes have been prepared and characterized. The structure of complex 2 has been determined by X-ray crystallography. These complexes were demonstrated to be efficient and recyclable catalysts for the nitroaldol (Henry) reaction with an ionic liquid.

The lowest energy structures of the unsaturated Co4(CO)n (n = 10, 9) clusters, have central Co4 butterflies with five bonding Co–Co interactions rather than Co4 tetrahedra with six bonding Co–Co interactions. Slightly higher energy Co4 (CO)n (n = 10, 9) butterfly structures are found with a unique l4-CO group bridging all four cobalt atoms. Co 4(CO)10

Co 4(CO) 9

3

4

xxiv

Contents

Anton A. Ivanov, Michael A. Shestopalov, Konstantin A. Brylev, Vadim K. Khlestkin and Yuri V. Mironov Polyhedron 81 (2014) 634 A family complexes Se, X = Cl, dependent

of octahedral rhenium cluster trans-[{Re6Q8}(PPh3)4X2] (Q = S or Br or I): Preparation and halideluminescence properties

Xiaowei Song, Huimin Wen, Chengbing Ma and Changneng Chen Polyhedron 81 (2014) 639 Electro- and photocatalytic hydrogen evolution by a cobalt complex based on a tripodal iminopyridine ligand

Zhao-Peng Qi, Jiao-Jiao Sun, Le-Le Zhu and Hui Zhang Polyhedron 81 (2014) 646 Synthesis and properties of three coordination compounds with a monodentate Schiff-base ligand

Blaise A. Frenzel, Zorineh Mergerdichian, Josh E. Schumaker, Cole T. Kuester, Christopher G. Hamaker and Sean E. Hightower Polyhedron 81 (2014) 653 Synthesis, structural characterization and spectroscopic properties of cobalt complexes with the 2,6-bis(8¢-quinolinyl)pyridine ligand

New octahedral rhenium cluster complexes trans-[{Re6Q8}(PPh3)4X2] were synthesized by reaction of cesium salts of [{Re6Q8}X6]4)/3) with molten triphenylphosphine. The compounds were characterized by elemental and X-ray structural analyses. Photophysical characteristics were obtained showing a dependence of the emission maximum wavelength, quantum yield and lifetime values from cluster ligand environment.

A cobalt complex 1a of tripodal iminopyridine type ligand was synthesized and characterized. The complex is capable of electro-catalyzing proton reduction in acetonitrile using acetic acid as a proton source and photo-catalyzing hydrogen generation in combination with the photosensitizer [Ir(ppy)2(bpy)]PF6.

Three new coordination compounds have been synthesized with new Schiff-base ligand, from mononuclear, dinuclear, to one-dimensional double chain. The metal ions are found to have a remarkable impact on the frameworks of the coordination compounds. Meanwhile, the magnetic property and photoluminescent property of coordination compounds are discussed.

Coordination of the 2,6-bis(8¢-quinolinyl)pyridine (bqp) ligand to a cobalt (Co) core and its influence to electron spin and configuration on the structures and properties of the resulting complexes has been investigated.

Contents

Rommel B. Viana, Aguinaldo R. de Souza, Benedito S. Lima-Neto and Albérico B.F. da Silva Polyhedron 81 (2014) 661 On the stability of the RuCl2(triphenylphosphine)2(amine) complexes: Ligand substituent effects of cyclic and acyclic amines

Q.R. Cheng, H. Zhou, Z.Q. Pan, G.Y. Liao and Z.G. Xu Polyhedron 81 (2014) 668 Synthesis, crystal structure and magnetic properties of one-dimensional coordination polymers

Rubén Gil-García, Patricia Gómez-Saiz, Virginia Díez-Gómez, Gotzon Madariaga, Maite Insausti, Luis Lezama, José Vicente Cuevas and Javier García-Tojal Polyhedron 81 (2014) 675 Thiosemicarbazonecopper(II) compounds with halide/hexafluorosilicate anions: Structure, water clusters, non-covalent interactions and magnetism

Xiayi Zhang, Li Song, Mingwei Hong, Hongsheng Shi, Kaijie Xu, Qizhong Lin, Yi Zhao, Yuan Tian, Jiafeng Sun, Kangying Shu and Wenxiang Chai Polyhedron 81 (2014) 687 Luminescent dinuclear copper(I) halide complexes double bridged by diphosphine ligands: Synthesis, structure characterization, properties and TD-DFT calculations A series of luminescent complexes, [CuXPh2P (CH2)nPPh2] [X = I, n = 4 (1), 5 (2); X = Br, n = 4 (3), 5 (4)], have been synthesized and characterized. X-ray diffraction studies determined that 1

It was analyzed five conformations considering different positions of the chlorine atoms and the triphenylphosphine ligand: a cis-cis (1), a trans-trans (2), a trans-cis (3), a cis-cis (4) and a cis-trans configuration (5). All the structures presented a square pyramid geometry, and in all systems the stereoisomer 3 is the most stable arrangement among the five isomers.

Three one-dimensional macrocyclic dinuclear coordination polymers, featuring 4,4¢bipy/terephthalic acid bridging between two macrocyclic units, were prepared and structurally characterized. The magnetic measurements revealed that 4,4¢-bipy can serve as a weak magnetic pathway, resulting in a ferromagnetic interaction between the Cu(II) ions in two adjacent macrocyclic units, and there are strong antiferromagnetic interactions between the two Cu(II) ions in the macrocyclic units for the complexes.

The influence of non-covalent interactions in the structural features of new thiosemicarbazonecopper(II) compounds derived from pyridine-2-carbaldehyde thiosemicarbazone (HL) and pyridine-2-carbaldehyde 4N-methylthiosemicarbazone (HL¢) is discussed. Parameters involved in their magnetic behaviours are analysed and compared with those in other [Cu2(lSR)2] magnetic systems.

and 2 are both dinuclear structures with a Cu2I2 core, which is formed by two l-I bridges and further supported by two l2 diphosphine ligands. All the complexes exhibit a strong CT absorption band which has been assigned as halide-toligand charge transfer (XLCT) mixed with a little metal-to-ligand charge transfer (MLCT) transition, as confirmed by TD-DFT calculations. When the X atom changes from iodine to bromine, or the ligand changes from DPPP to DPPB, some blue-shift of the CT band has been observed, both in the experimental absorption spectra as well as the calculated ones.

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Jan Janczak and Ryszard Kubiak Polyhedron 81 (2014) 695 Reactivity of the HoPc2I in the acetylacetone– water system

Guang-Zhou Zhu, Bei-Bei Xing, Feng-Lei Yang and Xiu-Ling Li Polyhedron 81 (2014) 705 Five new mononuclear complexes of 2-(5methyl-1H-pyrazol-3-yl)pyridine: Synthesis, crystalline architectures through supramolecular interactions and spectroscopy

Keiji Ohno, Takashi Fujihara and Akira Nagasawa Polyhedron 81 (2014) 715 Formation of boron, nickel(II) and iridium(III) complexes with an azophenine derivative: Isomerization, delocalization and extension of the p-conjugated system on coordination

Aminul H. Mirza, Mohammad Akbar Ali, Paul V. Bernhardt and Izuddin Asri Polyhedron 81 (2014) 723 Dimeric nickel(II) and copper(II) complexes of the pentadentate N3S2 chelating agents derived from S-alkyl/aryl esters of dithiocarbazic acid

Contents

Reactivity of HoPc2I depending on the water quantity in the acetylacetone/water system has been investigated. In equilibrium proportion of HoPc2I to water in the reaction system an unique complex of [Ho(oPc)(acac)(OAc)]IÆ0.5(CH3COCH3) – (1) is formed. Increasing of water quantity in the reacting system leads to formation of three different holmium acetates: Ho(CH3COO)3 – 2, [Ho(CH3COO)3]2ÆH2O – 3 and [Ho(CH3COO)2(H2O)3I]2ÆH2O – 4.

Five new mononuclear complexes with 2(5-methyl-1H-pyrazol-3-yl)pyridine (L) have been synthesized, [ZnLCl2] (1), [NiL2 (H2O)2)]Cl2Æ0.5N2H4 (2), [MnL2]Æ3H2O (3), [CdL2(NO3)2] (4), and [MnL2(Pa)2] (5, Pa = m-phthalic acid). Complexes 2, 3 and 5 afford six-coordinated octahedral spheres, whilst 1 displays a four-coordinated tetrahedral core and 4 forms an eight-coordinated geometry. The photoluminescent properties of L, 1 and 4 were also studied at room temperature.

Protonation and dinuclear complex formation with B(III), Ni(II), and Ir(III) centers provide a change in the bond alternating p-systems of an azophenine derivative to conjugated ones, resulting in p-electrons being delocalized between the metal centers.

Helical dimeric nickel(II) and copper(II) complexes have been synthesized and structurally characterized. Each copper(II) ion in the dimeric copper complex is five-coordinate whereas the nickel(II) ions in the dimeric nickel complex adopt a distorted octahedral geometry.

Contents

Z. Hnatejko, D. Kwiatek, G. Dutkiewicz, M. Kubicki, R. Jastrza˛b and S. Lis Polyhedron 81 (2014) 728 Pyridine N-oxide complexes of Cu(II) ions with pseudohalides: Synthesis, structural and spectroscopic characterization

Marcio A.P. Almeida, Fábio B. do Nascimento, Angelica E. Graminha, Antonio G. Ferreira, Javier Ellena, Francyelli M. dos S. Mello, Aliny P. de Lima, Elisângela de P. Silveira-Lacerda and Alzir A. Batista Polyhedron 81 (2014) 735 Structural features and cytotoxic activities of [Ru(AA-H)(dppb)(bipy)]PF6 complexes

Xiuli You, Zhenghong Wei, Beibei Xu and Xiaoming Liu Polyhedron 81 (2014) 743 A heptadentate ligand possessing two phenol groups: Its diverse coordination chemistry and the catalytic behaviors of its transition complexes towards benzene oxidation

T.A. Yousef, G.M. Abu El-Reash, O.A. El-Gammal and Sara F. Ahmed Polyhedron 81 (2014) 749 Structural, DFT and biological studies on Cu(II) complexes of semi and thiosemicarbazide ligands derived from diketo hydrazide

A series of copper(II) complexes with pyridine N-oxide (pyridine-N-oxide, 2,2¢bipyridine-N,N¢-dioxide) and pseudohalide (dca, SCN) ligands have been synthesized and characterized by elemental analysis, TG, EPR, IR spectra and X-ray diffraction. The cis and trans disposition of the SCN anions, as well as the square-planar and octahedral environments of the copper ions in these complexes were identified.

Amino acid/diphosphine ruthenium complexes, of general formula [Ru(AA)(dppb) (bipy)]PF6 [AA = amino acids dppb = 1,4bis(diphenylphosphino)butane; bipy = 2,2¢-bipyridine], were synthesized and characterized. Toxicity tests against the MDA-MB-231 and DU 145 human tumor cell lines and the Ehrlich mouse cell line indicated a high degree of cytotoxicity for the complexes.

Treatment of the heptadentate ligand H2L, possessing pyridinyl and phenolate groups, with one equivalent of Cu2+, Ni2+ and Fe3+ ions, through non-, partial and complete deprotonation of the hydroxyl groups of the phenols in the ligand, led to a pentacoordinated copper(II), a hexa-coordinated nickel(II) and a hepta-coordinated iron (III) complex, respectively.

The antitumor activities of the ligands have been evaluated against liver (HePG2) and breast (MCF-7) cancer cells. All ligands were found to display cytotoxicity that is better than that of Fluorouracil (5-FU).

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Arumugam Jayamani, Nallathambi Sengottuvelan and Ganesan Chakkaravarthi Polyhedron 81 (2014) 764 Synthesis, structural, electrochemical, DNA interaction, antimicrobial and molecular docking studies on dimeric copper(II) complexes involving some potential bidentate ligands

Serap Bes¸li, Ceylan Mutlu, Fatma Yuksel and Adem Kılıç Polyhedron 81 (2014) 777 Reactions of ansa fluorodioxy cyclotriphosphazene derivatives with phenol

The dimeric copper(II) complexes have been synthesized and characterized. Complexes 1 and 3 crystallize in triclinic crystal belonging to P1space group. The copper(II) complexes showed good binding affinity to ctDNA. Complexes showed efficient oxidative cleavage of plasmid pBR322 DNA in presence of MPA proceeded by hydroxyl radical mechanism.

Mono ansa fluorodioxycy clotriphosphazenes {N3P3Cl4[OCH2(CF2)nCH2O] (n = 3, 4) were reacted with the sodium salt of phenol in different molar ratios and the isomer distributions and reaction pathways were determined.

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