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prelims, contents pages
Polyhedron 100, 4 November 2015
Contents lists available at ScienceDirect
Polyhedron journal homepage: www.elsevier.com/locate/poly
Contents
Ahmet T. Bilgiçli, Merve Durdas¸oglu, Erkan Kırbaç, M. Nilüfer Yarasir and Mehmet Kandaz Polyhedron 100 (2015) 1 Metal ion sensing soluble a or b tetrasubstituted gallium and indium phthalocyanines: Synthesis, characterization, photochemistry and aggregation behaviors
Cristiana da Silva, Leonardo B. Ribeiro, Caio C. Furuno, Gislaine A. da Cunha, Ronan F.F. de Souza, Adelino V.G. Netto, Antonio E. Mauro, Regina C.G. Frem, José A. Fernandes, Filipe A. Almeida Paz, Leonardo B. Marino, Fernando R. Pavan and Clarice Q.F. Leite Polyhedron 100 (2015) 10 Pyrazolyl Pd(II) complexes containing triphenylphosphine: Synthesis and antimycobacterial activity
Abbey M. Tadros, Michael M. Royko, Steven P. Kelley, Kenneth Belmore, Robin D. Rogers and John B. Vincent Polyhedron 100 (2015) 17 Aminopyridine complexes of Cr(III) basic carboxylates as potential polymer precursors: Synthesis, characterization, and crystal structure of [Cr3O(propionate)6(X-aminopyridine)3]+ (X = 3 or 4)
Elsevier Ltd.
This paper reports on the synthesis and characterization of a or b tetra-substituted gallium and indium phthalocyanines. Synthesized compounds have been characterized by elemental analysis, FT-IR, 1H NMR, 13 C NMR, MALDI-TOF and UV–Vis spectral data. Atomic force microscopy was also used as complementary techniques. Also, photochemical and photophysical properties of these phthalocyanines were performed.
New compounds of the type trans-[PdCl2 (HL)(PPh3)] {HL = pyrazole (1); 3,5-dimethylpyrazole (2); 4-nitropyrazole (3); 4-iodopyrazole (4); PPh3 = triphenylphosphine} were synthesised, characterized and had their antimycobacterial activity evaluated. Compound 4 was the most active against Mycobacterium tuberculosis (MIC = 7.61 ± 2.18 lM).
The synthesis and characterization including X-ray crystal structures of chromium(III) basic carboxylate assemblies with terminal amino pyridine ligands as potential building blocks for polymers are described.
Contents
Yang-Ming Jhou, Debkumar Nandi, Jhen-Yi Lee, Ru-Jiun Tzeng and Hon Man Lee Polyhedron 100 (2015) 28 Palladium(0) complexes of N-heterocyclic carbene ligands with dangling NMeC@O functionalities: Synthesis, reactivity and application in Mizoroki–Heck reactions
Daopeng Zhang and Hongyan Zhang Polyhedron 100 (2015) 36 A series of chiral cyanide-bridged Fe–Cu complexes: Synthesis, crystal structures and magnetic properties
In-Taek Lim, Chong-Hyeak Kim and Ki-Young Choi Polyhedron 100 (2015) 43 Synthesis and structural characterization of nickel(II) complexes of 3,14-diethyl-2,6,13,17tetraazatricyclo[14,4,01.18,07.12]docosane with inorganic salts
Matilde Fondo, Jesús Doejo, Ana M. García-Deibe, Jesús Sanmartín, Concepción González-Bello and Ramón Vicente Polyhedron 100 (2015) 49 Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes
A series of new Pd(0) NHC complexes with dangling NMe(C@O) functionalities is reported. The reactivity of one of the Pd(0) complexes towards the oxidative addition of pentafluoroiodobenzene was studied, revealing the formation of an intriguing Pd(II) complex. The catalytic activities of the new complexes in the Mizoroki–Heck coupling reaction were investigated.
Four trans-dicyanideiron(III)-containing building blocks and two chiral copper(II) compounds have been employed to assemble cyanidebridged heterometallic complexes, resulting in six chiral cyanide-bridged Fe(III)–Cu(II) complexes, which have been characterized by elemental analysis, IR spectroscopy and X-ray structure determination. Investigation over magnetic properties of complexes 1–6 reveals the weak antiferromagnetic or ferromagnetic magnetic coupling between the neighboring Fe(III) and Cu(II) ions through the bridging cyanide group in complexes 1, 2 and 3–6, respectively.
The nickel(II) complexes [Ni(L3)(NO3)2] (2) and [Ni(L3)(N3)2] (3) were synthesized and structurally characterized. The crystal structure of the compounds 2 and 3 exhibits a high-spin octahedral geometry with the axial ligands.
Imidazolidine ligands, derived from diamines and salicylaldehyde, suffer total hydrolysis in the presence of CuII, yielding coordination polymers, mononuclear or tetranuclear amine complexes as a function of the amine and the counterion present in the reaction medium.
v
vi
A. Mary Imelda Jayaseeli, Arumugam Ramdass and Seenivasan Rajagopal Polyhedron 100 (2015) 59 Selective H2O2 oxidation of organic sulfides to sulfoxides catalyzed by cobalt(III)–salen ion
Fatemeh Niroomand Hosseini Polyhedron 100 (2015) 67 Theoretical studies of methyl iodide oxidative addition to adjacent metal centers in diplatinum(II) complexes
Joanna Pranczk, Dariusz Wyrzykowski, Dagmara Jacewicz, Artur Sikorski, Aleksandra Tesmar and Lech Chmurzyn´ski Polyhedron 100 (2015) 74 Structural, physico-chemical and antioxidant characteristics of 2,2¢-bipyridyl(iminodiacetato) oxidovanadium(IV) dihydrate
Dmytro M. Khomenko, Roman O. Doroschuk and Rostyslav D. Lampeka Polyhedron 100 (2015) 82 Synthesis, characterization and luminescent properties of palladium complexes with 3-(2-pyridyl)-1H-1,2,4-triazole-5-acetic acid ethyl ester
Contents
Cobalt(III)–salen ion catalyzed selective H2O2 oxidation of organic sulfides to sulfoxides. Reaction follows Michaelis– Menten kinetics. The reaction rate is highly sensitive to the change of substituent in sulfide and salen. The two possible mechanisms have been proposed for this reaction.
The density functional theory calculations were used to study the electronic and steric effects between two adjacent platinum centers on the oxidative addition of methyl iodide to dimeric complex [Me2Pt(lbipym)PtMe2], in which bipym = 2,2¢bipyrimidine.
The studied oxovanadium(IV) complexes capacity to scavenge organic radicals decrease in the order VO(IDA)(bipy) > Trolox > VO(IDA). In the case of superoxide radicals the antioxidant activity of studied compounds decrease in the order ascorbic acid > VO(IDA) > VO(IDA)(bipy).
This report describes the synthesis and characterization of two novel complexes of palladium(II) containing 3-(2-pyridyl)-1H1,2,4-triazole-5-acetic acid ethyl ester. Structural analysis of one of these compounds by X-ray crystallography has revealed a tetranuclear complex is obtained. The ligand is characterized by high fluorescence which is significantly decreased after its complexation with palladium ions.
N O S CH3 +
X
N CoIII O
H 2O2
X
S(O)
CH3
X = H, OCH3, CH3, F, Cl, Br, NO2
N
N
Me
N
N
N
Pt Me
N
CH3
Me
Pt Me
Me
Me
Pt N
N
N
N
Pt Me
Me
N
N
I MR
Me Pt
DR
Reactivity towards MeI oxidative addition: MR > DR > DP1
DP1
Me
Contents
Ekaterina M. Cheprakova, Egor V. Verbitskiy, Mikhail A. Kiskin, Grigory G. Aleksandrov, Pavel A. Slepukhin, Aleksei A. Sidorov, Denis V. Starichenko, Yuri N. Shvachko, Igor L. Eremenko, Gennady L. Rusinov and Valery N. Charushin
vii
4-(Thienyl)pyrimidines ligands (L1–3) bind in a monodentate or chelate fashion depending on nature of metal atoms to which they are attached. The mononuclear, binuclear, heterometalic polynuclear and chelate complexes have been obtained.
Polyhedron 100 (2015) 89 Synthesis and Magnetic Properties
Synthesis and characterization of new complexes derived from 4-thienyl substituted pyrimidines
Cristián Cuerva, Paloma Ovejero, M. Rosario Torres, Mercedes Cano and José A. Campo Polyhedron 100 (2015) 100
Pyridylpyrazole ligands with disc-like molecular shape have been proved useful for the consecution of multifunctional Pt(II) metallomesogens.
Dicatenar pyridylpyrazoles: An opportunity to induce mesomorphism. Synthesis, X-ray characterisation and DFT calculations
Günes¸ Günay, Okan Zafer Yes¸ilel, Hakan Erer, Seda Keskin and Ahmet Tabak Polyhedron 100 (2015) 108 A zinc(II) metal organic framework based on flexible o-phenylenediacetate and rigid 4,4¢azobis(pyridine) ligands: Synthesis, crystal structure and hydrogen gas adsorption property
Sofía E. Domínguez and Florencia Fagalde Polyhedron 100 (2015) 114 Electrochemical triggered O-atom transfer reaction in nitrocarbonyl rhenium(I) complexes: An IR spectroelectrochemical investigation
In this study, 3D metal organic framework, namely [Zn2(l4-o-pda)2(l-abpy)]n (1), has been synthesized under hydrothermal conditions with o-phenylenediacetic acid (o-H2pda) and 4,4¢-azobis(pyridine) (abpy) ligands. 1 has a binodal (3,7)-connected 3D framework with the point symbol of (3.52)(32.44.57.67.7). 1 may be used as an effective adsorbent for H2 storage applications.
In [ReI(bpy)(CO)3(NO2)]+ and [ReI(dmb) (CO)3(NO2)]+ (with bpy = 2,2¢-bipyridine and dmb = 4,4¢-dimethyl-2,2¢-bipyridine) an O-atom transfer reaction occurs triggered by electrochemical oxidation leading a Re(CO)2(NO) structure and releasing CO2 by an intramolecular mechanism. The experimental results are in agreement with computational analysis calculated by DFT methods.
viii
Mirela-Fernanda Zaltariov, Maria Cazacu, Mihaela Avadanei, Sergiu Shova, Mihaela Balan, Nicoleta Vornicu, Angelica Vlad, Anatolie Dobrov and Cristian-Dragos Varganici Polyhedron 100 (2015) 121
Contents
A Cu(II) and two Zn(II) complexes of the Schiff bases derived from an original amine, trimethylsilyl-propyl-p-aminobenzoate, reacted with salicylaldehyde and o-vanillin were obtained. These proved to be fluorescent, having green emission, and biologically active.
Synthesis, characterization and antimicrobial activity of new Cu(II) and Zn(II) complexes with Schiff bases derived from trimethylsilyl-propylp-aminobenzoate
S.E. Tolstikov, N.A. Artiukhova, G.V. Romanenko, A.S. Bogomyakov, E.M. Zueva, I.Yu. Barskaya, M.V. Fedin, K.Yu. Maryunina, E.V. Tretyakov, R.Z. Sagdeev and V.I. Ovcharenko
Novel binuclear [Cu(hfac)2LMe]2, Me-CP [Cu(hfac)2L ]2 and chain polymer {[[Cu(hfac)2]2L2Me][Cu(hfac)]}¥ heterospin complexes revealed spin-crossover-like phenomenon.
Polyhedron 100 (2015) 132 Heterospin complex showing spin transition at room temperature
_ ¸og˘lu and Ali Metin Güzel Hanife Ibis Polyhedron 100 (2015) 139 Syntheses and characterizations of cyclotriphosphazenes containing 1-naphthyl derivatives
Ceylan Mutlu, Serap Bes¸li and Fatma Yuksel Polyhedron 100 (2015) 146 Ansa versus spiro selectivity in substitution reactions of a mono ansa fluorodioxycyclotriphosphazene derivative with diols
The synthesis and characterizations of cyclotriphosphazenes containing 1-naphthyl derivatives has been reported in the present work.
The nucleophilic substitution reactions of cis-ansa fluorodialkoxycyclotriphosphazene with disodium salts of diols occur preferentially at the PCl2 groups rather than at the P(OR)Cl moieties and so spiro derivatives are the major product in the reactions.
Contents
Anju Saini, Raj Pal Sharma, Santosh Kumar, Paloth Venugopalan, Alexander I. Gubanov and Anton I. Smolentsev Polyhedron 100 (2015) 155 Two new isomeric copper(II) complexes: Syntheses, spectroscopic characterization, single crystal X-ray structure determination and packing analyses of [Cu(L1/L2)2 (TEMED)], L2 = where L1 = 4-chloro-2-nitrobenzoate, 5-chloro-2-nitrobenzoate and TEMED = N,N, N¢,N¢-tetramethylethylenediamine
Mark A. Chrisman, Robert R. Baum, Jennifer E. Grabo, Jeanette A. Krause, David L. Tierney and Michael J. Baldwin Polyhedron 100 (2015) 164 Structure, spectroscopy, stability, and bridge exchange in the M3O4 incomplete-cubane complexes, [M(III)3(Sal-AHA)3(l-OR)]) (M = Fe, Ga)
Sumita Naskar, Bholanath Pakhira, Dipankar Mishra, Partha Mitra, Shyamal Kumar Chattopadhyay and Subhendu Naskar Polyhedron 100 (2015) 170 Synthesis, characterization and theoretical studies of the heteroleptic Ruthenium(II) complexes of 2,6-bis(benzimidazolyl)pyridine
Hadi Amiri Rudbari, Mahsa Khorshidifard, Banafshe Askari, Neda Habibi and Giuseppe Bruno Polyhedron 100 (2015) 180 New asymmetric Schiff base ligand derived from allylamine and 2,3-dihydroxybenzaldehyde and its molybdenum(VI) complex: Synthesis, characterization, crystal structures, computational studies and antibacterial activity together with synergistic effect against Pseudomonas aeroginosa PTTC 1570 A new unsymmetrical Schiff base ligand (H2L) was derived from condensation of 2,3-dihydrox-
ix
Two novel copper(II) complexes [Cu(L1)2 (TEMED)] (1) and [Cu(L2)2(TEMED)] (2) (L1 = 4-chloro-2-nitrobenzoate, L2 = 5-chloro2-nitrobenzoate, TEMED = N,N,N¢,N¢-tetramethyl ethylenediamine) have been synthesized, characterized by elemental analyses, TGA, spectroscopic techniques (IR, UV–Vis and EPR), magnetic susceptibility studies and single crystal X-ray structure determination. C–H…p interactions in complex 1 and C–Cl…p interactions in complex 2 provides robustness to the crystal lattice in both complexes. However, some significant C–H…O hydrogen bonding interactions have also been observed in both complexes.
The structures and stability of the analogous [M(III)3(3,5-diCl-Sal-AHA)3(l-OCH3)]) complexes with Fe and Ga are compared. The Fe(III)3O4 cubane has an S = 1/2 ground state based on the EPR spectra. The clusters are stable to metal or chelate exchange, while the l3-methoxy bridge can be exchanged with hydroxide.
Heteroleptic Ruthenium complexes with benzimidazolyl ligand has been reported here. The complexes have been characterized by spectroscopic techniques and single crystal X-ray diffraction study. DFT calculations have been performed on all the ligands and the complexes. Electronic spectra of the ligands and the complexes have been correlated with the theoretical spectra obtained from TD-DFT study. Shift in the MLCT band and the Ru(II–III) oxidation potential has been explained on the basis of nature of the coligand in the complexes
ybenzaldehyde with allylamine. Molybdenum (VI) complex, MoO2L2, was synthesized from the reaction of MoO2(acac)2 with the Schiff base ligand. The molecular structure of schiff base ligand and Mo(VI) complex showed pseudo-scorpionate structure in solid state. The pseudo-scorpionate interaction in ligand was investigated by theoretical calculation. The Schiff base ligand and its Mo(VI) complex were also tested for their in vitro antimicrobial activity against Staphylococcus aureus (ATCC 29737) and Pseudomonas aeroginosa (PTTC 1570), by disc diffusion method. The results indicated that the Schiff base ligand had a better antibacterial activity than its Mo(VI) complex and surprisingly, they were synergistic when used against P. aeroginosa PTTC 1570.
a
b
(a) ORTEP diagram and (b)Frontier Molecular Orbitals of [Ru(bbp)(phen)Cl]PF6
x
Riccardo Bondi, Fabio Marchetti, Guido Pampaloni and Stefano Zacchini Polyhedron 100 (2015) 192 The versatile chemistry of niobium pentachloride with aliphatic amines: Aminolysis, metal reduction and C–H activation
So Jeong Yeo, Hyunji Oh, Tae-Soo You, Dong Ju Jeon, Taek-Mo Chung, Bo Keun Park and Chang Gyoun Kim Polyhedron 100 (2015) 199 Synthesis and characterization of Mo and W compounds containing aminothiolate ligand for disulfide materials
Mehul H. Sadhu, Ankita Solanki and Sujit Baran Kumar Polyhedron 100 (2015) 206 Mixed ligand complexes of copper(II), cobalt(II), nickel(II) and zinc(II) with thiocyanate and pyrazole based tetradentate ligand: Syntheses, characterizations and structures
Priya P. Netalkar, Sandeep P. Netalkar and Vidyanand K. Revankar Polyhedron 100 (2015) 215 Transition metal complexes of thiosemicarbazone: Synthesis, structures and invitro antimicrobial studies
Contents
The first structurally characterized Nb(V) chlorido amido complex has been prepared by the 1:1 reaction of NbCl5 with NHEt2. Evidences for metal reduction and C–H activation have been collected for the reactions of NbCl5 with trialkylamines.
Mo(VI) and W(VI) tBu-imido/aminothiolate compounds 1–6 for molybdenum and tungsten based sulfide thin films were prepared and characterized. Structures of 2, 3, 5, and 6 are distorted trigonal bipyramidal geometry, and the residues of 2, 3, 5, and 6 suggest MoS2 (2 and 3) and WS2 (5 and 6) in TGA. Compounds 3, 4, and 6 are possible to vaporize, especially compound 3 is well vaporized (sublimed at 65 C/10)1 Torr).
A new tetradentate N4-coordinate ligand N,N-bis(3,5-dimethyl-1H-pyrazol-1-yl)methyl-N 2 -phenylethane-1,2-diamine (bdpab) and six mononuclear mixed ligand complexes have been synthesized and characterized. Crystal structures of four compounds have been solved by single crystal X-ray crystallography studies. Structural analyses reveal copper(II) and zinc(II) complexes have five coordination with distorted square pyramidal [for copper(II)] or trigonal bipyramidal [for zinc(II)] geometry whereas Co(II) and Ni(II) complexes have distorted octahedral geometry.
The molecular structures of the ligand LH, C1 and C2 complexes have been determined by single crystal X-ray diffraction method. The hydrogen bonds in complex C3 serve to link neighboring Cu(II) monomers into three-dimensional chain. Ligand (LH) and all the complexes were screened against antibacterial and anti-fungal strains
Contents
Qing Zang, Guo-Qing Zhong and Mei-Ling Wang Polyhedron 100 (2015) 223 A copper(II) complex with pyridine-2,6-dicarboxylic acid: Synthesis, characterization, thermal decomposition, bioactivity and interactions with herring sperm DNA
Yu-Pin Wang, Wei-Der Tang, Xen-Hum Lui, Hsiu-Yao Cheng and Tso-Shen Lin Polyhedron 100 (2015) 231 Crystal structures of azine derivatives of (g5acylcyclopentadienyl)dicarbonylnitrosylchromium and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of azine derivatives of (g5-acylcyclopentadienyl)dicarbonylnitrosylchromium, (g5-acylcyclopentadienyl)tricarbonylmethylmolybdenum, and (g 5-acylcyclopentadienyl)tricarbonylmethyltungsten in 13C NMR spectra
Deepak Gupta, Vikash Singh, Stephan Hohloch, Malaichamy Sathiyendiran, Karsten Tedin and Biprajit Sarkar Polyhedron 100 (2015) 243
The copper(II) complex of pyridine-2,6dicarboxylic acid was synthesized and characterized by elemental analyses, single crystal X-ray diffraction, FTIR and TGA-FTIR. The interactions of the complex with herring sperm DNA was studied by means of spectral methods using acridine orange as a fluorescence probe.
Azine derivatives of CpCr(CO)2(NO), CpMo(CO)3(CH3), and CpW(CO)3(CH3) have been synthesized. Based on 2D HETCOR– NMR, C(3,4) resonates at lower field than C(2,5) on the Cp(Mo,W) azine derivatives, opposite to those of Cp(Cr) analogs. The X-ray structure revealed that E,E-[(CO)2 (NO)Cr(g5-C5H4CH@N)]2 has a cisoid NO orientation to the exocyclic carbon.
N\O chelating quinone ligands have been utilized to synthesize dinuclear fac-Re(CO)3 based luminescent complexes which exhibit a strong visible light absorption ability, intra-cellular luminescence and very low cell cytotoxicity.
Utilizing a series of fac-Re(CO)3 core based quinonoid containing complexes for photophysical and cell imaging studies
Yan Xu, Xin-Xin Lu, Yu-Hui Luo and Hong Zhang Polyhedron 100 (2015) 251 Syntheses, crystal structures and luminescent properties of Cu(II)/Zn(II) coordination polymers based on bis(1,2,4-triazol-1-ylmethyl)benzene position isomers and 5-nitroisophthalic acid
xi
Three new coordination polymers have been synthesized using H2nip and the position isomers of bbtz under solventthermal conditions. The difference of the structures can be attributed to the different orientations of binding sites in isomer bis(triazole) ligand. Solid-state luminescence studies of complexes 1 and 2 have also been carried out at room temperature.
H
H C
N
N
C
C H
[
1
4 Fe
Cr CO CO
ON
ON OC
O
2
1
3
C
C Cr
NO CO
OC
5
4 ON
CO
O
2 3 [
ON OC
NO CO
OC
N
H
Cr
Cr
Cr
N
C
5 Cr CO CO
Fe
]
] CO
xii
Contents
Taraneh Hajiashrafi, Ali Morsali and Maciej Kubicki Polyhedron 100 (2015) 257 Two new Cd(II) and Hg(II) coordination polymers containing 4-halo-N-(pyridin-4-ylmethylene)aniline ligands: Synthesis, nanostructure synthesis and crystal structure analysis
Faiz-Ur Rahman, Amjad Ali, Inamullah Khan, Rong Guo, Lan Chen, Hui Wang, Zhan-Ting Li, Yuejian Lin and Dan-Wei Zhang Polyhedron 100 (2015) 264 Synthesis and characterization of trans-Pt(II) (salicylaldimine)(pyridine/pyridine-4-carbinol)Cl complexes: In vivo inhibition of E. coli growth and in vitro anticancer activities
Harald Gerhards, Alexander Krest, Patrick J. Eulgem, Dieter Naumann, Dennis Rokitta, Martin Valldor and Axel Klein Polyhedron 100 (2015) 271 Syntheses and coordination perfluoroaryl-1H-tetrazoles
chemistry
of
Muhammed Açıkgöz, Paweł Gnutek and Czesław Rudowicz Polyhedron 100 (2015) 282 Magnetostructural relationships for Ni(II) ions at octahedral sites in [NixZn1)x(C2O4)(dmiz)2]: Computational study of zero-field splitting and using superposition model
Two new Cd(II) and Hg(II) coordination polymers containing a Schiff-base ligand were synthesized, characterized and their supramolecular structures were analyzed. The crystal structures of these two coordination polymers were analyzed using geometrical and Hirshfeld surface analysis. Nanostructures of these coordination polymers were synthesized by ultrasonication and their morphologies were analyzed using BFDH analysis.
Mono-metallic trans-Pt(salicylaldimine) (pyridine/pyridine-4-carbinol)Cl and di-metallic trans-Pt2(salicylaldimine) (pyridine)2Cl2 complexes were synthesized and analysed in solid state using single crystal X-ray analysis. These complexes showed good in vivo E. coli growth inhibition and in vitro cytotoxicities in MCF-7 and HepG2 human cancer cell lines, what was comparable to those of cisplatin.
Attempts to prepare fluorinated 5-aryl1H-tetrazoles by various methods was successful for (3,5-bis(trifluoromethyl)phenyl)tetrazole (BTFTH) and in part for 5-pentafluoropenyltetrazole (F5PhTetH) and 5-(tetrafluoro-4-pyridinyl)tetrazole (F4PyTetH). BTFTH was characterised in detail and is a suitable ligand in the coordination polymer [(BTFT)2Cu(Py)2]n.
The results of a computational study on zero-field splitting and magnetostructural relationships for Ni(II) ions at octahedral sites in [NixZn1)x(C2O4)(dmiz)2] presented.
JCu...Cu ≈ 0
Contents
Shikha Sharma, Sunil K. Ghosh, Mukesh Kumar and Joti N. Sharma Polyhedron 100 (2015) 290 Synthesis and X-ray crystallographic characterization of two different inorganic–organic hybrid isopolyoxomolybdates with a-dipropylammonium N,N-diisobutylacetamide by varying reaction conditions
Sarah DÕSouza, Reama George, Meltem Göksel, Devrim Atilla, Mahmut Durmus¸ and Tebello Nyokong Polyhedron 100 (2015) 296 Enhanced triplet state yields in aqueous media of asymmetric zinc phthalocyanines when conjugated to silver nanoflowers
New inorganic–organic hybrid polyoxomolybdate complexes (LH)2[Mo6O19] and (LH)4[Mo8O26] with distinct structural features are obtained from same ammonium based ligand and molybdenum source just by varying reaction conditions.
xiii
Bu-i Bu-i n-Pr n-Pr
N
C +
N
Bu-i
O
n-Pr 1 N n sditio n-Pr con H
con
(NH4)6Mo7O24.4H2O
dit ion s-2
N
2
n-Pr
N
C
H
O
N
4
OH O NH O O
R
N
N
N N
Zn N
N
O
R=
Polyhedron 100 (2015) 303 Experimental and DFT studies on solvatochromism behavior of a synthesized mixed chelate copper(II) complex
Vamsi K. Narra, Habib Ullah, Varun K. Singh, Lingamallu Giribabu, S. Senthilarasu, S.Zh. Karazhanov, Asif A. Tahir, Tapas K. Mallick and Hari M. Upadhyaya Polyhedron 100 (2015) 313 D–p–A system based on zinc porphyrin dyes for dye-sensitized solar cells: Combined experimental and DFT–TDDFT study
Four new porphyrin based sensitizers have been synthesized with furan hetero aromatic ring between the porphyrin
Solvatochromism behavior of a mixed chelate copper(II) complex with b-diketonate and diamine ligands was investigated by SMLR computational method. The complex showed a linear trend with the DN power of the solvents. A comparative experimental and computational study was performed on the X-ray structure of complex.
macrocycle and anchoring group either at meso-phenylor at pyrrole-b position of porphyrin. The porphyrin macrocycle acts as donor, furan hertero cycle acts as p-spacer and either cyanoacetic acid or malonic acid group acts as acceptor. The furan hetero aromatic ring at meso or b position can change the charge injection properties in dye sensitized solar cells. The DFT modelling to find HOMO and LUMO level for foreign at different positions has been studied and verified with experimental techniques.
Mo8O244-
Bu-i
N N
R
R
Hamid Golchoubian and Golasa Moayyedi
Mo6O192-
Bu-i
O Bu-i
n-Pr
Triplet state behavior of water soluble zinc phthalocyanines containing three 2-[2-(2ethoxyethoxy)ethoxy]-1-[2-((2-ethoxyethoxy)-ethoxy) methyl] ethoxy and one aminoethoxy or 2-(2-(2-ethoxyamino)-2oxoethoxy) acetic acid groups at non-peripheral positions improves in the presence of silver nanoflowers.
C
O
O
O O
O O
CH3 CH3
O
xiv
Keisham S. Singh, Prabha Devi, Sneha G. Sawant and Werner Kaminsky Polyhedron 100 (2015) 321 Arene ruthenium(II) complexes with 2-acetamidothiazole derived ligands: Synthesis, structural studies, antifouling and antibacterial properties
Lianke Wang, Yuanyuan Zhu, Zongquan Wu, Zirong Li, Hongping Zhou, Jieying Wu and Yupeng Tian Polyhedron 100 (2015) 326
Contents
Four related arene ruthenium(II) complexes containing 2-acetamidothizole derived ligands have been prepared and characterized spectroscopically. Antifouling and antibacterial properties against marine fouling bacteria and clinical isolates were evaluated. The molecular structure of a representative compound has been established by single crystal X-ray analysis.
The anion influence the stability of Schiff base ligand, which further induce the various architectures and magnetic property of coordination complexes.
Influence of anions on decomposition of Schiff base ligand determines the structure and magnetic property of dinuclear copper(II) complexes
Andrew T. Breshears, Andrew C. Behrle, Charles L. Barnes, Charles H. Laber, Gary A. Baker and Justin R. Walensky Polyhedron 100 (2015) 333
The sulfide and selenide compounds of diphenyl(9-anthracenyl)phosphine show a small deviation from planarity which is attributed to the steric influence of 9anthracenyl on a P(V) center.
Synthesis, spectroscopy, electrochemistry, and coordination chemistry of substituted phosphine sulfides and selenides
Elvira I. Musina, Tatiana I. Wittmann, Igor D. Strelnik, Olga E. Naumova, Andrey A. Karasik, Dmitry B. Krivolapov, Daut R. Islamov, Olga N. Kataeva, Oleg G. Sinyashin, Peter Lönnecke and Evamarie Hey-Hawkins Polyhedron 100 (2015) 344 Influence of the rac–meso isomerization of seven-membered cyclic bisphosphines on the predominant formation of chelate complexes
Novel seven-membered cyclic bisphosphines have been synthesized by Mannich-like condensation as a mixture of rac and meso stereoisomers. Potentially catalytic active P,P-chelate complex is exclusively formed by slow addition of metal to the isomeric mixture of ligand.
Contents
Stefan Knoppe Polyhedron 100 (2015) 351 Generation of isomers for icosahedral clusters A12)xBx (x = 0–12) from a symmetry-based algorithm
David Specklin, Samir Mameri, Edward Loukopoulos, George E. Kostakis and Richard Welter Polyhedron 100 (2015) 359 A synthetic and crystal structure study of a collection of coordination polymers based on alkaline aroylhydrazonates
Antonio Téllez-López, Jonathan Jaramillo-García, Rogelio Martínez-Domínguez, Raúl A. Morales-Luckie, Miguel A. Camacho-Lopez, Roberto Escudero and Víctor Sánchez-Mendieta
xv
The geometrical isomers of (quasi)-icosahedral clusters A12)xBx were constructed using group theoretical arguments. The degeneracies and chirality of the isomers were analyzed, showing that chirality becomes important at doping with four or more foreign atoms.
Selected aroylhydrazone molecules give with alkaline ions unexpected coordination polymers with various dimensionalities. One of them shows a rare and porous crystal structure with a 40% unoccupied volume suitable for potential gas absorption application properties.
Unique distorted trigonal-prismatic Co and Zn complexes bearing aqua and g1:g1 – fumarato ligands exhibiting 2D-supramolecular arrays.
Polyhedron 100 (2015) 373 (5,5¢-dimethyl-2,2¢-bipyridine) M(II)(H2O)2 (fumarato) [M = Co and Zn] complexes bearing a unique distorted trigonal-prismatic geometry and displaying 2D supramolecular structures
Yu-Chang Chang, Chih-Hung Chang, Lyu-Wei Wang, Ya-Han Liang, Dan-Fu Hu, Chia-Ming Weng, Kuo-Chung Mao and Fung-E Hong Polyhedron 100 (2015) 382 Imidazolio-substituted secondary phosphine oxides as potential carbene reagents
The reaction of SPO-Im 1h with Pd(COD)Cl2 yielded a bis-1h¢ (PA–Im) coordinated cis-palladium dichloride complex, 2Ah¢. It subsequently converted to a carbene coordinated palladium complex, 3Ah, in the presence of moisture, and eventually to 4Ah. The P–C(imidazole) bond of 1h¢ was dissected and the dissociated species acted as a NHC carbene ligand towards palladium metal.
Cl
Cl
Cl
N
tBu Pd N N + H2O Pd(COD)Cl2 C P H + C P P CN N t NMe2 Ar tBu O H O Bu Ar Ar O Ar: PA-Im 1h'
SPO-Im 1h
2Ah'
Cl
Cl
H
N
Cl Pd
Pd HN
C
P
N
Ar
OH
t OH Bu
3Ah (proposed)
HN
C N
4Ah
Me N Me
xvi
Contents
Péter Buglyó, Krisztina Lénárt, Máté Kozsup, Attila Csaba Bényei, Éva Kováts, Imre Sóvágó and Etelka Farkas Polyhedron 100 (2015) 392 [Pd(en)(H2O)2]2+ and [Pd(pic)(H2O)2]2+ complexation by monohydroxamic acids: A solution equilibrium and solid state approach
Eleonora Ferretti, Mohammad Hayatifar, Fabio Marchetti, Guido Pampaloni and Stefano Zacchini
While secondary hydroxamates form mononuclear [O,O] chelated complexes with [Pd(en/pic)(H2O)2]2+ primary hydroxamates are capable of binding an excess of metal ion too with the involvement of the hydroxymate-N– donor(s) yielding oligonuclear complexes with high stability.
The reactions of MoCl5 with sulfones in CH2Cl2 afford Mo(V) or Mo(IV) complexes, depending on the nature of the sulfone.
Polyhedron 100 (2015) 400 Molybdenum(V) and molybdenum(IV) coordination compounds from the reactions of MoCl5 with sulfones
Karolina Malczewska-Jaskóła, _ Wojciech Jankowski, Beata Warzajtis, Beata Jasiewicz, Marcin Hoffmann and Urszula Rychlewska
Bidentate bridging properties of (S)-()) nicotine lactam, thiolactam and selenolactam ligands have been probed by complexation with ZnCl2.
Polyhedron 100 (2015) 404 Chalcogenated (S)-())-nicotine derivatives as chiral linkers for 1D coordination polymers
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Contents
Ahmet T. Bilgiçli, Merve Durdas¸oglu, Erkan Kırbaç, M. Nilüfer Yarasir and Mehmet Kandaz Polyhedron 100 (2015) 1 Metal ion sensing soluble a or b tetrasubstituted gallium and indium phthalocyanines: Synthesis, characterization, photochemistry and aggregation behaviors
Cristiana da Silva, Leonardo B. Ribeiro, Caio C. Furuno, Gislaine A. da Cunha, Ronan F.F. de Souza, Adelino V.G. Netto, Antonio E. Mauro, Regina C.G. Frem, José A. Fernandes, Filipe A. Almeida Paz, Leonardo B. Marino, Fernando R. Pavan and Clarice Q.F. Leite Polyhedron 100 (2015) 10 Pyrazolyl Pd(II) complexes containing triphenylphosphine: Synthesis and antimycobacterial activity
Abbey M. Tadros, Michael M. Royko, Steven P. Kelley, Kenneth Belmore, Robin D. Rogers and John B. Vincent Polyhedron 100 (2015) 17 Aminopyridine complexes of Cr(III) basic carboxylates as potential polymer precursors: Synthesis, characterization, and crystal structure of [Cr3O(propionate)6(X-aminopyridine)3]+ (X = 3 or 4)
Elsevier Ltd.
This paper reports on the synthesis and characterization of a or b tetra-substituted gallium and indium phthalocyanines. Synthesized compounds have been characterized by elemental analysis, FT-IR, 1H NMR, 13 C NMR, MALDI-TOF and UV–Vis spectral data. Atomic force microscopy was also used as complementary techniques. Also, photochemical and photophysical properties of these phthalocyanines were performed.
New compounds of the type trans-[PdCl2 (HL)(PPh3)] {HL = pyrazole (1); 3,5-dimethylpyrazole (2); 4-nitropyrazole (3); 4-iodopyrazole (4); PPh3 = triphenylphosphine} were synthesised, characterized and had their antimycobacterial activity evaluated. Compound 4 was the most active against Mycobacterium tuberculosis (MIC = 7.61 ± 2.18 lM).
The synthesis and characterization including X-ray crystal structures of chromium(III) basic carboxylate assemblies with terminal amino pyridine ligands as potential building blocks for polymers are described.
Contents
Yang-Ming Jhou, Debkumar Nandi, Jhen-Yi Lee, Ru-Jiun Tzeng and Hon Man Lee Polyhedron 100 (2015) 28 Palladium(0) complexes of N-heterocyclic carbene ligands with dangling NMeC@O functionalities: Synthesis, reactivity and application in Mizoroki–Heck reactions
Daopeng Zhang and Hongyan Zhang Polyhedron 100 (2015) 36 A series of chiral cyanide-bridged Fe–Cu complexes: Synthesis, crystal structures and magnetic properties
In-Taek Lim, Chong-Hyeak Kim and Ki-Young Choi Polyhedron 100 (2015) 43 Synthesis and structural characterization of nickel(II) complexes of 3,14-diethyl-2,6,13,17tetraazatricyclo[14,4,01.18,07.12]docosane with inorganic salts
Matilde Fondo, Jesús Doejo, Ana M. García-Deibe, Jesús Sanmartín, Concepción González-Bello and Ramón Vicente Polyhedron 100 (2015) 49 Hydrolysis of imidazolidine ligands mediated by CuII: Mononuclear, tetranuclear and 1D CuII-amine complexes
A series of new Pd(0) NHC complexes with dangling NMe(C@O) functionalities is reported. The reactivity of one of the Pd(0) complexes towards the oxidative addition of pentafluoroiodobenzene was studied, revealing the formation of an intriguing Pd(II) complex. The catalytic activities of the new complexes in the Mizoroki–Heck coupling reaction were investigated.
Four trans-dicyanideiron(III)-containing building blocks and two chiral copper(II) compounds have been employed to assemble cyanidebridged heterometallic complexes, resulting in six chiral cyanide-bridged Fe(III)–Cu(II) complexes, which have been characterized by elemental analysis, IR spectroscopy and X-ray structure determination. Investigation over magnetic properties of complexes 1–6 reveals the weak antiferromagnetic or ferromagnetic magnetic coupling between the neighboring Fe(III) and Cu(II) ions through the bridging cyanide group in complexes 1, 2 and 3–6, respectively.
The nickel(II) complexes [Ni(L3)(NO3)2] (2) and [Ni(L3)(N3)2] (3) were synthesized and structurally characterized. The crystal structure of the compounds 2 and 3 exhibits a high-spin octahedral geometry with the axial ligands.
Imidazolidine ligands, derived from diamines and salicylaldehyde, suffer total hydrolysis in the presence of CuII, yielding coordination polymers, mononuclear or tetranuclear amine complexes as a function of the amine and the counterion present in the reaction medium.
v
vi
A. Mary Imelda Jayaseeli, Arumugam Ramdass and Seenivasan Rajagopal Polyhedron 100 (2015) 59 Selective H2O2 oxidation of organic sulfides to sulfoxides catalyzed by cobalt(III)–salen ion
Fatemeh Niroomand Hosseini Polyhedron 100 (2015) 67 Theoretical studies of methyl iodide oxidative addition to adjacent metal centers in diplatinum(II) complexes
Joanna Pranczk, Dariusz Wyrzykowski, Dagmara Jacewicz, Artur Sikorski, Aleksandra Tesmar and Lech Chmurzyn´ski Polyhedron 100 (2015) 74 Structural, physico-chemical and antioxidant characteristics of 2,2¢-bipyridyl(iminodiacetato) oxidovanadium(IV) dihydrate
Dmytro M. Khomenko, Roman O. Doroschuk and Rostyslav D. Lampeka Polyhedron 100 (2015) 82 Synthesis, characterization and luminescent properties of palladium complexes with 3-(2-pyridyl)-1H-1,2,4-triazole-5-acetic acid ethyl ester
Contents
Cobalt(III)–salen ion catalyzed selective H2O2 oxidation of organic sulfides to sulfoxides. Reaction follows Michaelis– Menten kinetics. The reaction rate is highly sensitive to the change of substituent in sulfide and salen. The two possible mechanisms have been proposed for this reaction.
The density functional theory calculations were used to study the electronic and steric effects between two adjacent platinum centers on the oxidative addition of methyl iodide to dimeric complex [Me2Pt(lbipym)PtMe2], in which bipym = 2,2¢bipyrimidine.
The studied oxovanadium(IV) complexes capacity to scavenge organic radicals decrease in the order VO(IDA)(bipy) > Trolox > VO(IDA). In the case of superoxide radicals the antioxidant activity of studied compounds decrease in the order ascorbic acid > VO(IDA) > VO(IDA)(bipy).
This report describes the synthesis and characterization of two novel complexes of palladium(II) containing 3-(2-pyridyl)-1H1,2,4-triazole-5-acetic acid ethyl ester. Structural analysis of one of these compounds by X-ray crystallography has revealed a tetranuclear complex is obtained. The ligand is characterized by high fluorescence which is significantly decreased after its complexation with palladium ions.
N O S CH3 +
X
N CoIII O
H 2O2
X
S(O)
CH3
X = H, OCH3, CH3, F, Cl, Br, NO2
N
N
Me
N
N
N
Pt Me
N
CH3
Me
Pt Me
Me
Me
Pt N
N
N
N
Pt Me
Me
N
N
I MR
Me Pt
DR
Reactivity towards MeI oxidative addition: MR > DR > DP1
DP1
Me
Contents
Ekaterina M. Cheprakova, Egor V. Verbitskiy, Mikhail A. Kiskin, Grigory G. Aleksandrov, Pavel A. Slepukhin, Aleksei A. Sidorov, Denis V. Starichenko, Yuri N. Shvachko, Igor L. Eremenko, Gennady L. Rusinov and Valery N. Charushin
vii
4-(Thienyl)pyrimidines ligands (L1–3) bind in a monodentate or chelate fashion depending on nature of metal atoms to which they are attached. The mononuclear, binuclear, heterometalic polynuclear and chelate complexes have been obtained.
Polyhedron 100 (2015) 89 Synthesis and Magnetic Properties
Synthesis and characterization of new complexes derived from 4-thienyl substituted pyrimidines
Cristián Cuerva, Paloma Ovejero, M. Rosario Torres, Mercedes Cano and José A. Campo Polyhedron 100 (2015) 100
Pyridylpyrazole ligands with disc-like molecular shape have been proved useful for the consecution of multifunctional Pt(II) metallomesogens.
Dicatenar pyridylpyrazoles: An opportunity to induce mesomorphism. Synthesis, X-ray characterisation and DFT calculations
Günes¸ Günay, Okan Zafer Yes¸ilel, Hakan Erer, Seda Keskin and Ahmet Tabak Polyhedron 100 (2015) 108 A zinc(II) metal organic framework based on flexible o-phenylenediacetate and rigid 4,4¢azobis(pyridine) ligands: Synthesis, crystal structure and hydrogen gas adsorption property
Sofía E. Domínguez and Florencia Fagalde Polyhedron 100 (2015) 114 Electrochemical triggered O-atom transfer reaction in nitrocarbonyl rhenium(I) complexes: An IR spectroelectrochemical investigation
In this study, 3D metal organic framework, namely [Zn2(l4-o-pda)2(l-abpy)]n (1), has been synthesized under hydrothermal conditions with o-phenylenediacetic acid (o-H2pda) and 4,4¢-azobis(pyridine) (abpy) ligands. 1 has a binodal (3,7)-connected 3D framework with the point symbol of (3.52)(32.44.57.67.7). 1 may be used as an effective adsorbent for H2 storage applications.
In [ReI(bpy)(CO)3(NO2)]+ and [ReI(dmb) (CO)3(NO2)]+ (with bpy = 2,2¢-bipyridine and dmb = 4,4¢-dimethyl-2,2¢-bipyridine) an O-atom transfer reaction occurs triggered by electrochemical oxidation leading a Re(CO)2(NO) structure and releasing CO2 by an intramolecular mechanism. The experimental results are in agreement with computational analysis calculated by DFT methods.
viii
Mirela-Fernanda Zaltariov, Maria Cazacu, Mihaela Avadanei, Sergiu Shova, Mihaela Balan, Nicoleta Vornicu, Angelica Vlad, Anatolie Dobrov and Cristian-Dragos Varganici Polyhedron 100 (2015) 121
Contents
A Cu(II) and two Zn(II) complexes of the Schiff bases derived from an original amine, trimethylsilyl-propyl-p-aminobenzoate, reacted with salicylaldehyde and o-vanillin were obtained. These proved to be fluorescent, having green emission, and biologically active.
Synthesis, characterization and antimicrobial activity of new Cu(II) and Zn(II) complexes with Schiff bases derived from trimethylsilyl-propylp-aminobenzoate
S.E. Tolstikov, N.A. Artiukhova, G.V. Romanenko, A.S. Bogomyakov, E.M. Zueva, I.Yu. Barskaya, M.V. Fedin, K.Yu. Maryunina, E.V. Tretyakov, R.Z. Sagdeev and V.I. Ovcharenko
Novel binuclear [Cu(hfac)2LMe]2, Me-CP [Cu(hfac)2L ]2 and chain polymer {[[Cu(hfac)2]2L2Me][Cu(hfac)]}¥ heterospin complexes revealed spin-crossover-like phenomenon.
Polyhedron 100 (2015) 132 Heterospin complex showing spin transition at room temperature
_ ¸og˘lu and Ali Metin Güzel Hanife Ibis Polyhedron 100 (2015) 139 Syntheses and characterizations of cyclotriphosphazenes containing 1-naphthyl derivatives
Ceylan Mutlu, Serap Bes¸li and Fatma Yuksel Polyhedron 100 (2015) 146 Ansa versus spiro selectivity in substitution reactions of a mono ansa fluorodioxycyclotriphosphazene derivative with diols
The synthesis and characterizations of cyclotriphosphazenes containing 1-naphthyl derivatives has been reported in the present work.
The nucleophilic substitution reactions of cis-ansa fluorodialkoxycyclotriphosphazene with disodium salts of diols occur preferentially at the PCl2 groups rather than at the P(OR)Cl moieties and so spiro derivatives are the major product in the reactions.
Contents
Anju Saini, Raj Pal Sharma, Santosh Kumar, Paloth Venugopalan, Alexander I. Gubanov and Anton I. Smolentsev Polyhedron 100 (2015) 155 Two new isomeric copper(II) complexes: Syntheses, spectroscopic characterization, single crystal X-ray structure determination and packing analyses of [Cu(L1/L2)2 (TEMED)], L2 = where L1 = 4-chloro-2-nitrobenzoate, 5-chloro-2-nitrobenzoate and TEMED = N,N, N¢,N¢-tetramethylethylenediamine
Mark A. Chrisman, Robert R. Baum, Jennifer E. Grabo, Jeanette A. Krause, David L. Tierney and Michael J. Baldwin Polyhedron 100 (2015) 164 Structure, spectroscopy, stability, and bridge exchange in the M3O4 incomplete-cubane complexes, [M(III)3(Sal-AHA)3(l-OR)]) (M = Fe, Ga)
Sumita Naskar, Bholanath Pakhira, Dipankar Mishra, Partha Mitra, Shyamal Kumar Chattopadhyay and Subhendu Naskar Polyhedron 100 (2015) 170 Synthesis, characterization and theoretical studies of the heteroleptic Ruthenium(II) complexes of 2,6-bis(benzimidazolyl)pyridine
Hadi Amiri Rudbari, Mahsa Khorshidifard, Banafshe Askari, Neda Habibi and Giuseppe Bruno Polyhedron 100 (2015) 180 New asymmetric Schiff base ligand derived from allylamine and 2,3-dihydroxybenzaldehyde and its molybdenum(VI) complex: Synthesis, characterization, crystal structures, computational studies and antibacterial activity together with synergistic effect against Pseudomonas aeroginosa PTTC 1570 A new unsymmetrical Schiff base ligand (H2L) was derived from condensation of 2,3-dihydrox-
ix
Two novel copper(II) complexes [Cu(L1)2 (TEMED)] (1) and [Cu(L2)2(TEMED)] (2) (L1 = 4-chloro-2-nitrobenzoate, L2 = 5-chloro2-nitrobenzoate, TEMED = N,N,N¢,N¢-tetramethyl ethylenediamine) have been synthesized, characterized by elemental analyses, TGA, spectroscopic techniques (IR, UV–Vis and EPR), magnetic susceptibility studies and single crystal X-ray structure determination. C–H…p interactions in complex 1 and C–Cl…p interactions in complex 2 provides robustness to the crystal lattice in both complexes. However, some significant C–H…O hydrogen bonding interactions have also been observed in both complexes.
The structures and stability of the analogous [M(III)3(3,5-diCl-Sal-AHA)3(l-OCH3)]) complexes with Fe and Ga are compared. The Fe(III)3O4 cubane has an S = 1/2 ground state based on the EPR spectra. The clusters are stable to metal or chelate exchange, while the l3-methoxy bridge can be exchanged with hydroxide.
Heteroleptic Ruthenium complexes with benzimidazolyl ligand has been reported here. The complexes have been characterized by spectroscopic techniques and single crystal X-ray diffraction study. DFT calculations have been performed on all the ligands and the complexes. Electronic spectra of the ligands and the complexes have been correlated with the theoretical spectra obtained from TD-DFT study. Shift in the MLCT band and the Ru(II–III) oxidation potential has been explained on the basis of nature of the coligand in the complexes
ybenzaldehyde with allylamine. Molybdenum (VI) complex, MoO2L2, was synthesized from the reaction of MoO2(acac)2 with the Schiff base ligand. The molecular structure of schiff base ligand and Mo(VI) complex showed pseudo-scorpionate structure in solid state. The pseudo-scorpionate interaction in ligand was investigated by theoretical calculation. The Schiff base ligand and its Mo(VI) complex were also tested for their in vitro antimicrobial activity against Staphylococcus aureus (ATCC 29737) and Pseudomonas aeroginosa (PTTC 1570), by disc diffusion method. The results indicated that the Schiff base ligand had a better antibacterial activity than its Mo(VI) complex and surprisingly, they were synergistic when used against P. aeroginosa PTTC 1570.
a
b
(a) ORTEP diagram and (b)Frontier Molecular Orbitals of [Ru(bbp)(phen)Cl]PF6
x
Riccardo Bondi, Fabio Marchetti, Guido Pampaloni and Stefano Zacchini Polyhedron 100 (2015) 192 The versatile chemistry of niobium pentachloride with aliphatic amines: Aminolysis, metal reduction and C–H activation
So Jeong Yeo, Hyunji Oh, Tae-Soo You, Dong Ju Jeon, Taek-Mo Chung, Bo Keun Park and Chang Gyoun Kim Polyhedron 100 (2015) 199 Synthesis and characterization of Mo and W compounds containing aminothiolate ligand for disulfide materials
Mehul H. Sadhu, Ankita Solanki and Sujit Baran Kumar Polyhedron 100 (2015) 206 Mixed ligand complexes of copper(II), cobalt(II), nickel(II) and zinc(II) with thiocyanate and pyrazole based tetradentate ligand: Syntheses, characterizations and structures
Priya P. Netalkar, Sandeep P. Netalkar and Vidyanand K. Revankar Polyhedron 100 (2015) 215 Transition metal complexes of thiosemicarbazone: Synthesis, structures and invitro antimicrobial studies
Contents
The first structurally characterized Nb(V) chlorido amido complex has been prepared by the 1:1 reaction of NbCl5 with NHEt2. Evidences for metal reduction and C–H activation have been collected for the reactions of NbCl5 with trialkylamines.
Mo(VI) and W(VI) tBu-imido/aminothiolate compounds 1–6 for molybdenum and tungsten based sulfide thin films were prepared and characterized. Structures of 2, 3, 5, and 6 are distorted trigonal bipyramidal geometry, and the residues of 2, 3, 5, and 6 suggest MoS2 (2 and 3) and WS2 (5 and 6) in TGA. Compounds 3, 4, and 6 are possible to vaporize, especially compound 3 is well vaporized (sublimed at 65 C/10)1 Torr).
A new tetradentate N4-coordinate ligand N,N-bis(3,5-dimethyl-1H-pyrazol-1-yl)methyl-N 2 -phenylethane-1,2-diamine (bdpab) and six mononuclear mixed ligand complexes have been synthesized and characterized. Crystal structures of four compounds have been solved by single crystal X-ray crystallography studies. Structural analyses reveal copper(II) and zinc(II) complexes have five coordination with distorted square pyramidal [for copper(II)] or trigonal bipyramidal [for zinc(II)] geometry whereas Co(II) and Ni(II) complexes have distorted octahedral geometry.
The molecular structures of the ligand LH, C1 and C2 complexes have been determined by single crystal X-ray diffraction method. The hydrogen bonds in complex C3 serve to link neighboring Cu(II) monomers into three-dimensional chain. Ligand (LH) and all the complexes were screened against antibacterial and anti-fungal strains
Contents
Qing Zang, Guo-Qing Zhong and Mei-Ling Wang Polyhedron 100 (2015) 223 A copper(II) complex with pyridine-2,6-dicarboxylic acid: Synthesis, characterization, thermal decomposition, bioactivity and interactions with herring sperm DNA
Yu-Pin Wang, Wei-Der Tang, Xen-Hum Lui, Hsiu-Yao Cheng and Tso-Shen Lin Polyhedron 100 (2015) 231 Crystal structures of azine derivatives of (g5acylcyclopentadienyl)dicarbonylnitrosylchromium and unequivocal assignments of C(2,5) and C(3,4) on the cyclopentadienyl ring of azine derivatives of (g5-acylcyclopentadienyl)dicarbonylnitrosylchromium, (g5-acylcyclopentadienyl)tricarbonylmethylmolybdenum, and (g 5-acylcyclopentadienyl)tricarbonylmethyltungsten in 13C NMR spectra
Deepak Gupta, Vikash Singh, Stephan Hohloch, Malaichamy Sathiyendiran, Karsten Tedin and Biprajit Sarkar Polyhedron 100 (2015) 243
The copper(II) complex of pyridine-2,6dicarboxylic acid was synthesized and characterized by elemental analyses, single crystal X-ray diffraction, FTIR and TGA-FTIR. The interactions of the complex with herring sperm DNA was studied by means of spectral methods using acridine orange as a fluorescence probe.
Azine derivatives of CpCr(CO)2(NO), CpMo(CO)3(CH3), and CpW(CO)3(CH3) have been synthesized. Based on 2D HETCOR– NMR, C(3,4) resonates at lower field than C(2,5) on the Cp(Mo,W) azine derivatives, opposite to those of Cp(Cr) analogs. The X-ray structure revealed that E,E-[(CO)2 (NO)Cr(g5-C5H4CH@N)]2 has a cisoid NO orientation to the exocyclic carbon.
N\O chelating quinone ligands have been utilized to synthesize dinuclear fac-Re(CO)3 based luminescent complexes which exhibit a strong visible light absorption ability, intra-cellular luminescence and very low cell cytotoxicity.
Utilizing a series of fac-Re(CO)3 core based quinonoid containing complexes for photophysical and cell imaging studies
Yan Xu, Xin-Xin Lu, Yu-Hui Luo and Hong Zhang Polyhedron 100 (2015) 251 Syntheses, crystal structures and luminescent properties of Cu(II)/Zn(II) coordination polymers based on bis(1,2,4-triazol-1-ylmethyl)benzene position isomers and 5-nitroisophthalic acid
xi
Three new coordination polymers have been synthesized using H2nip and the position isomers of bbtz under solventthermal conditions. The difference of the structures can be attributed to the different orientations of binding sites in isomer bis(triazole) ligand. Solid-state luminescence studies of complexes 1 and 2 have also been carried out at room temperature.
H
H C
N
N
C
C H
[
1
4 Fe
Cr CO CO
ON
ON OC
O
2
1
3
C
C Cr
NO CO
OC
5
4 ON
CO
O
2 3 [
ON OC
NO CO
OC
N
H
Cr
Cr
Cr
N
C
5 Cr CO CO
Fe
]
] CO
xii
Contents
Taraneh Hajiashrafi, Ali Morsali and Maciej Kubicki Polyhedron 100 (2015) 257 Two new Cd(II) and Hg(II) coordination polymers containing 4-halo-N-(pyridin-4-ylmethylene)aniline ligands: Synthesis, nanostructure synthesis and crystal structure analysis
Faiz-Ur Rahman, Amjad Ali, Inamullah Khan, Rong Guo, Lan Chen, Hui Wang, Zhan-Ting Li, Yuejian Lin and Dan-Wei Zhang Polyhedron 100 (2015) 264 Synthesis and characterization of trans-Pt(II) (salicylaldimine)(pyridine/pyridine-4-carbinol)Cl complexes: In vivo inhibition of E. coli growth and in vitro anticancer activities
Harald Gerhards, Alexander Krest, Patrick J. Eulgem, Dieter Naumann, Dennis Rokitta, Martin Valldor and Axel Klein Polyhedron 100 (2015) 271 Syntheses and coordination perfluoroaryl-1H-tetrazoles
chemistry
of
Muhammed Açıkgöz, Paweł Gnutek and Czesław Rudowicz Polyhedron 100 (2015) 282 Magnetostructural relationships for Ni(II) ions at octahedral sites in [NixZn1)x(C2O4)(dmiz)2]: Computational study of zero-field splitting and using superposition model
Two new Cd(II) and Hg(II) coordination polymers containing a Schiff-base ligand were synthesized, characterized and their supramolecular structures were analyzed. The crystal structures of these two coordination polymers were analyzed using geometrical and Hirshfeld surface analysis. Nanostructures of these coordination polymers were synthesized by ultrasonication and their morphologies were analyzed using BFDH analysis.
Mono-metallic trans-Pt(salicylaldimine) (pyridine/pyridine-4-carbinol)Cl and di-metallic trans-Pt2(salicylaldimine) (pyridine)2Cl2 complexes were synthesized and analysed in solid state using single crystal X-ray analysis. These complexes showed good in vivo E. coli growth inhibition and in vitro cytotoxicities in MCF-7 and HepG2 human cancer cell lines, what was comparable to those of cisplatin.
Attempts to prepare fluorinated 5-aryl1H-tetrazoles by various methods was successful for (3,5-bis(trifluoromethyl)phenyl)tetrazole (BTFTH) and in part for 5-pentafluoropenyltetrazole (F5PhTetH) and 5-(tetrafluoro-4-pyridinyl)tetrazole (F4PyTetH). BTFTH was characterised in detail and is a suitable ligand in the coordination polymer [(BTFT)2Cu(Py)2]n.
The results of a computational study on zero-field splitting and magnetostructural relationships for Ni(II) ions at octahedral sites in [NixZn1)x(C2O4)(dmiz)2] presented.
JCu...Cu ≈ 0
Contents
Shikha Sharma, Sunil K. Ghosh, Mukesh Kumar and Joti N. Sharma Polyhedron 100 (2015) 290 Synthesis and X-ray crystallographic characterization of two different inorganic–organic hybrid isopolyoxomolybdates with a-dipropylammonium N,N-diisobutylacetamide by varying reaction conditions
Sarah DÕSouza, Reama George, Meltem Göksel, Devrim Atilla, Mahmut Durmus¸ and Tebello Nyokong Polyhedron 100 (2015) 296 Enhanced triplet state yields in aqueous media of asymmetric zinc phthalocyanines when conjugated to silver nanoflowers
New inorganic–organic hybrid polyoxomolybdate complexes (LH)2[Mo6O19] and (LH)4[Mo8O26] with distinct structural features are obtained from same ammonium based ligand and molybdenum source just by varying reaction conditions.
xiii
Bu-i Bu-i n-Pr n-Pr
N
C +
N
Bu-i
O
n-Pr 1 N n sditio n-Pr con H
con
(NH4)6Mo7O24.4H2O
dit ion s-2
N
2
n-Pr
N
C
H
O
N
4
OH O NH O O
R
N
N
N N
Zn N
N
O
R=
Polyhedron 100 (2015) 303 Experimental and DFT studies on solvatochromism behavior of a synthesized mixed chelate copper(II) complex
Vamsi K. Narra, Habib Ullah, Varun K. Singh, Lingamallu Giribabu, S. Senthilarasu, S.Zh. Karazhanov, Asif A. Tahir, Tapas K. Mallick and Hari M. Upadhyaya Polyhedron 100 (2015) 313 D–p–A system based on zinc porphyrin dyes for dye-sensitized solar cells: Combined experimental and DFT–TDDFT study
Four new porphyrin based sensitizers have been synthesized with furan hetero aromatic ring between the porphyrin
Solvatochromism behavior of a mixed chelate copper(II) complex with b-diketonate and diamine ligands was investigated by SMLR computational method. The complex showed a linear trend with the DN power of the solvents. A comparative experimental and computational study was performed on the X-ray structure of complex.
macrocycle and anchoring group either at meso-phenylor at pyrrole-b position of porphyrin. The porphyrin macrocycle acts as donor, furan hertero cycle acts as p-spacer and either cyanoacetic acid or malonic acid group acts as acceptor. The furan hetero aromatic ring at meso or b position can change the charge injection properties in dye sensitized solar cells. The DFT modelling to find HOMO and LUMO level for foreign at different positions has been studied and verified with experimental techniques.
Mo8O244-
Bu-i
N N
R
R
Hamid Golchoubian and Golasa Moayyedi
Mo6O192-
Bu-i
O Bu-i
n-Pr
Triplet state behavior of water soluble zinc phthalocyanines containing three 2-[2-(2ethoxyethoxy)ethoxy]-1-[2-((2-ethoxyethoxy)-ethoxy) methyl] ethoxy and one aminoethoxy or 2-(2-(2-ethoxyamino)-2oxoethoxy) acetic acid groups at non-peripheral positions improves in the presence of silver nanoflowers.
C
O
O
O O
O O
CH3 CH3
O
xiv
Keisham S. Singh, Prabha Devi, Sneha G. Sawant and Werner Kaminsky Polyhedron 100 (2015) 321 Arene ruthenium(II) complexes with 2-acetamidothiazole derived ligands: Synthesis, structural studies, antifouling and antibacterial properties
Lianke Wang, Yuanyuan Zhu, Zongquan Wu, Zirong Li, Hongping Zhou, Jieying Wu and Yupeng Tian Polyhedron 100 (2015) 326
Contents
Four related arene ruthenium(II) complexes containing 2-acetamidothizole derived ligands have been prepared and characterized spectroscopically. Antifouling and antibacterial properties against marine fouling bacteria and clinical isolates were evaluated. The molecular structure of a representative compound has been established by single crystal X-ray analysis.
The anion influence the stability of Schiff base ligand, which further induce the various architectures and magnetic property of coordination complexes.
Influence of anions on decomposition of Schiff base ligand determines the structure and magnetic property of dinuclear copper(II) complexes
Andrew T. Breshears, Andrew C. Behrle, Charles L. Barnes, Charles H. Laber, Gary A. Baker and Justin R. Walensky Polyhedron 100 (2015) 333
The sulfide and selenide compounds of diphenyl(9-anthracenyl)phosphine show a small deviation from planarity which is attributed to the steric influence of 9anthracenyl on a P(V) center.
Synthesis, spectroscopy, electrochemistry, and coordination chemistry of substituted phosphine sulfides and selenides
Elvira I. Musina, Tatiana I. Wittmann, Igor D. Strelnik, Olga E. Naumova, Andrey A. Karasik, Dmitry B. Krivolapov, Daut R. Islamov, Olga N. Kataeva, Oleg G. Sinyashin, Peter Lönnecke and Evamarie Hey-Hawkins Polyhedron 100 (2015) 344 Influence of the rac–meso isomerization of seven-membered cyclic bisphosphines on the predominant formation of chelate complexes
Novel seven-membered cyclic bisphosphines have been synthesized by Mannich-like condensation as a mixture of rac and meso stereoisomers. Potentially catalytic active P,P-chelate complex is exclusively formed by slow addition of metal to the isomeric mixture of ligand.
Contents
Stefan Knoppe Polyhedron 100 (2015) 351 Generation of isomers for icosahedral clusters A12)xBx (x = 0–12) from a symmetry-based algorithm
David Specklin, Samir Mameri, Edward Loukopoulos, George E. Kostakis and Richard Welter Polyhedron 100 (2015) 359 A synthetic and crystal structure study of a collection of coordination polymers based on alkaline aroylhydrazonates
Antonio Téllez-López, Jonathan Jaramillo-García, Rogelio Martínez-Domínguez, Raúl A. Morales-Luckie, Miguel A. Camacho-Lopez, Roberto Escudero and Víctor Sánchez-Mendieta
xv
The geometrical isomers of (quasi)-icosahedral clusters A12)xBx were constructed using group theoretical arguments. The degeneracies and chirality of the isomers were analyzed, showing that chirality becomes important at doping with four or more foreign atoms.
Selected aroylhydrazone molecules give with alkaline ions unexpected coordination polymers with various dimensionalities. One of them shows a rare and porous crystal structure with a 40% unoccupied volume suitable for potential gas absorption application properties.
Unique distorted trigonal-prismatic Co and Zn complexes bearing aqua and g1:g1 – fumarato ligands exhibiting 2D-supramolecular arrays.
Polyhedron 100 (2015) 373 (5,5¢-dimethyl-2,2¢-bipyridine) M(II)(H2O)2 (fumarato) [M = Co and Zn] complexes bearing a unique distorted trigonal-prismatic geometry and displaying 2D supramolecular structures
Yu-Chang Chang, Chih-Hung Chang, Lyu-Wei Wang, Ya-Han Liang, Dan-Fu Hu, Chia-Ming Weng, Kuo-Chung Mao and Fung-E Hong Polyhedron 100 (2015) 382 Imidazolio-substituted secondary phosphine oxides as potential carbene reagents
The reaction of SPO-Im 1h with Pd(COD)Cl2 yielded a bis-1h¢ (PA–Im) coordinated cis-palladium dichloride complex, 2Ah¢. It subsequently converted to a carbene coordinated palladium complex, 3Ah, in the presence of moisture, and eventually to 4Ah. The P–C(imidazole) bond of 1h¢ was dissected and the dissociated species acted as a NHC carbene ligand towards palladium metal.
Cl
Cl
Cl
N
tBu Pd N N + H2O Pd(COD)Cl2 C P H + C P P CN N t NMe2 Ar tBu O H O Bu Ar Ar O Ar: PA-Im 1h'
SPO-Im 1h
2Ah'
Cl
Cl
H
N
Cl Pd
Pd HN
C
P
N
Ar
OH
t OH Bu
3Ah (proposed)
HN
C N
4Ah
Me N Me
xvi
Contents
Péter Buglyó, Krisztina Lénárt, Máté Kozsup, Attila Csaba Bényei, Éva Kováts, Imre Sóvágó and Etelka Farkas Polyhedron 100 (2015) 392 [Pd(en)(H2O)2]2+ and [Pd(pic)(H2O)2]2+ complexation by monohydroxamic acids: A solution equilibrium and solid state approach
Eleonora Ferretti, Mohammad Hayatifar, Fabio Marchetti, Guido Pampaloni and Stefano Zacchini
While secondary hydroxamates form mononuclear [O,O] chelated complexes with [Pd(en/pic)(H2O)2]2+ primary hydroxamates are capable of binding an excess of metal ion too with the involvement of the hydroxymate-N– donor(s) yielding oligonuclear complexes with high stability.
The reactions of MoCl5 with sulfones in CH2Cl2 afford Mo(V) or Mo(IV) complexes, depending on the nature of the sulfone.
Polyhedron 100 (2015) 400 Molybdenum(V) and molybdenum(IV) coordination compounds from the reactions of MoCl5 with sulfones
Karolina Malczewska-Jaskóła, _ Wojciech Jankowski, Beata Warzajtis, Beata Jasiewicz, Marcin Hoffmann and Urszula Rychlewska
Bidentate bridging properties of (S)-()) nicotine lactam, thiolactam and selenolactam ligands have been probed by complexation with ZnCl2.
Polyhedron 100 (2015) 404 Chalcogenated (S)-())-nicotine derivatives as chiral linkers for 1D coordination polymers
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