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Contents of volume 64
CONTENTS
OF VOLUME
64
NUMBER1, JANUARY1977 BRUNOLUNELLIANDM. GRAZIAGIORGINI.The Vibrational Spectrum of l,Z-Difluorobenzene and 1,2-Difluorobenzene-&. A. S. PINE ANDP. F. MOULTON.Doppler-limited and Atmospheric Spectra of the 4pm vr + v3 Combination Band of SOZ. CHIKASHIYAMADAAND EIZI HIROTA. Laser Stark Spectroscopy in the 9.4~pm Region. The o2 and v5 Bands of Methyl Chloride-d,. TOM SUNDIUS.A Modified Urey-Bradley Force Field for 2-Chloropropane and its Deuterated Derivatives. S. GERSTENKORN, P. Luc, AND A. PERRIN. Rotational Analysis of the 53.50 A Band of Iodine by Means of Fourier Transform Spectroscopy. V. TYPKE. Redundancy Coefficients for Vibrations Involving Atoms with Four Bonds. G. I. SENUMANDS. E. SCHWARTZ. Laser Fluorescence Spectroscopy of 2B1 (K > 0) Vibronic States of NOz. RICHARDF. WORMSBECHER, DAVID 0. HARRIS,ANDBRIAN G. WICKE. A Model for Ground-State and Excited-State Microwave Optical Double Resonance. DEWITT COFFEY,JR., CHIKASHIYAMADA,AND EIZI HIROTA.Laser Stark Spectroscopy of Formaldehyde-&. The Coriolis Coupled v4 and v6 Fundamentals. MITSURUAKIYAMA,TORU NAKAGAWA,AND Kozo KUCHITSU.High-Resolution Infrared Spectrum of the v2 and vs Bands of CH,D,. KENTAROUKAWAGUCHI,CHIKASHIYAMADA, TAKEHIKO TANAKA, AND EIZI HIROTA.Laser Stark and Laser-Microwave Double-Resonance Spectroscopy of the v2 Band CD31. KIYOKAZUFUKE AND SABURONAGAKURA.Rydberg Transitions of Aniline and N,N-Diethylaniline. W. J. LAFFERTY,R. D. SUENRAM,ANDD. R. JOHNSON. Microwave Spectrum of Acetylene-d2. NOTES SERGIOGHERSETTI,JAN E. ADAMS, AND K. NARAHARIRAO. 12C2H2and 12C2HDBands at 1.1 pm. V. SPIRKO,R. SOVIEKA,S. URBAN,D. PAPOU~EK,M. MATUCHA,M. HOLUB, AND A. VITEK. Calibration of High-Resolution Infrared Spectra Using Spline Functions. ERRATUM. ANNOUNCEMENT.
1 15 31 47 56 70 75 86 98 109
125 139 147
157
162 165 166
NUMBER2, FEBRUARY1977 SHINGKUO SHIH,SIGRIDD. PEYERIMHOFF, ANDROBERTJ. BUENKER.Theoretical Prediction of the Vertical Electronic Spectrum of the C2H Radical. V. E. BONDYBEY.Emission and Excitation Spectra of Ccl, in Solid Argon.
167 180
C. LINT~NANDH. I’. BROIDA.Flame Spectroscopy of TiO. Photoluminescence of the a(QA-X3A) System. K. YAMADA,M. WINNEWISSER, G. WINNEWISSER, L. B. SZALANSKI, ANDM. C. L. GERRY. Inversion of the K, = 0 and 1 Rotational Levels in the Lowest Excited Vibrational State of HNCS. I’. N. BRIER, S. R. JONES,J. G. BAKER, AND C. GEORGHIOU. The Microwave Spectrum of BrFb in Excited Vibrational States. Coriolis Interaction and an Al-A2 Splitting of 1kll # 1 Levels. YUMIKOTANAKAANDKATSUNOSUKE MACHIDA.Anharmonic Potential Function of Formaldehyde. D. A. STEINER,T. R. TODD, C. M. CLAYTON,T. K. MCCUBBIN,JR., ANDS. R. POLO.The Emission Spectrum of i3C1602Near 4.5 pm. ARTHURG. MAKI, ROBERTL. SAMS,AND RICHARD PEARSON, JR. Microwave and Infrared Spectra of Isotopically Substituted Carbonyl Selenide (OCSe). R. ANTTILA,J. KAUPPINEN,M. HUHANANTTI, ANDT. ~URK~~INEN.The Bending Vibration Bands ~4and ~5of HCCI. J. R. DURIC AND W. E. BUCY. Infrared, Raman, and Microwave Spectra of Ethaneselenol and the Determination of the Barriers to Internal Rotation. LETTERTO THEEDITOR J.-P. MONCHALIN, M. J. KELLY,J. E. THOMAS,N. A. KURNIT,ANDA. JAVAN. Accurate Wavelength Measurement of P-Branch Transitions of the Ol’l-[lliO, 03lO]r Band of C120216and Determination of the Band Parameters. ERRATUM. AUTHORINDEXFORVOLUME64. SUBJECTINDEXFORVOLUME64.
389
401
415 429 43% 452 460 474
491 495 496 498
A. D. MCLEAN, G. H. LOEW, AND D. S. BERKOWITZ.Structures and Spectra of the Isomers HNCO, HOCN, HONC, and HCNO from ab Initio Quantum Mechanical Calculations. ALLANRUPPRECHT. Interpretation of the cl-Parameters, Occurring in the MayantsAverbukh Theory of Infrared Intensity, in Terms of the Bond Dipole Moment Concept. Equivalence with the Valence-Optical Theory in the Zeroth Approximation for Linear and Planar Molecules. H. D. BIST, J. S. PARIHAR,ANDJ. C. D. BRAND.The 341-nm Band System of Pyridine N-Oxide. Assignment of the Out-of-Plane Fundamentals. SHELDONGREEN AND RICHARDN. ZARE. Ab Initio Calculation of the SpinRotation Constant for ‘% Diatomics. Test of the Van Vleck Approximation. F. B. ORTHANDM. L. GINTER.The Spectrum and Structure of the He2 Molecule. Characterization of the Triplet States Associated with the UAO’s 4p7r and Splr. HENRY U. LEE AND RICHARDN. ZARE. Chemiluminescent Spectra of YbF and YbCl. SURESHC. MEHROTRA,LAWRENCE L. GRIFFIN,CHESTER0. BRITT,ANDJAMESE. BOGGS.Microwave Spectrum, Structure, Dipole Moment, and Quadrupole Coupling Constants of Isopropylamine. J. R. DURIG AND M. G. GRIFFIN.The Microwave, Raman, Far Infrared, and NMR Spectra and Structure of Methylchloroformate. YVONNE JONES ARONOWITZAND MARTIN GOUTERMAN.Effect of Metal and Substituents on the Quasi-line Spectra of Some Metalloporphyrins. D. BOUCHER, J. BURIE,J. DEMAISON,A. DUBRULLE,J. LEGRAND,ANDB. SEGARD. High-Resolution Rotational Spectrum of Methyl Cyanide. ROBERTA. CRESWELLAND R. H. SCHWENDEMAN. Centrifugal Distortion Constants and Structural Parameters of Methyl Oxirane. E. V. DOKTOROV,I. A. MALKIN, AND V. I. MAN’KO. Dynamical Symmetry of Vibronic Transitions in Polyatomic Molecules and the Franck-Condon Principle. J. W. C. JOHNSANDA. R. W. MCKELLAR.The vg Fundamental Band of HDCO. NOTE G. WINNEWISSER. Millimeter-Wave Spectrum of HDCO. ANNOUNCEMENT.
184
199 211 217
223 233
244 252 267 290 295
302 327 340 341
NUMBER3, MARCH1977 A. BARBE, C. SECROUN,P. JOWE, N. MONNANTEUIL, J. C. DEPANNEMAECKER, B. DUTERAGE,J. BELLET,AND P. PINSON.Infrared and Microwave High343 Resolution Spectrum of the va Band of Ozone. ROBERTA. CRESWELL,P. J. MANOR, R. A. ASSINK,ANDR. H. SCHWENDEMAN. Microwave Spectrum, Torsional Excitation Energy, Partial Structure, and 36.5 Dipole Moment of Oxiranecarboxaldehyde. L. E. BRUS. Electronic Transition Dipole Moments and Excited-State Alignment 376 in Linear Molecules, with Application to Diatomic Rare Gas Halides. 382 C. LINTONANDH. P. BROIDA.Flame Spectroscopy of TiO. Chemiluminescence.
OF VOLUME
64
NUMBER1, JANUARY1977 BRUNOLUNELLIANDM. GRAZIAGIORGINI.The Vibrational Spectrum of l,Z-Difluorobenzene and 1,2-Difluorobenzene-&. A. S. PINE ANDP. F. MOULTON.Doppler-limited and Atmospheric Spectra of the 4pm vr + v3 Combination Band of SOZ. CHIKASHIYAMADAAND EIZI HIROTA. Laser Stark Spectroscopy in the 9.4~pm Region. The o2 and v5 Bands of Methyl Chloride-d,. TOM SUNDIUS.A Modified Urey-Bradley Force Field for 2-Chloropropane and its Deuterated Derivatives. S. GERSTENKORN, P. Luc, AND A. PERRIN. Rotational Analysis of the 53.50 A Band of Iodine by Means of Fourier Transform Spectroscopy. V. TYPKE. Redundancy Coefficients for Vibrations Involving Atoms with Four Bonds. G. I. SENUMANDS. E. SCHWARTZ. Laser Fluorescence Spectroscopy of 2B1 (K > 0) Vibronic States of NOz. RICHARDF. WORMSBECHER, DAVID 0. HARRIS,ANDBRIAN G. WICKE. A Model for Ground-State and Excited-State Microwave Optical Double Resonance. DEWITT COFFEY,JR., CHIKASHIYAMADA,AND EIZI HIROTA.Laser Stark Spectroscopy of Formaldehyde-&. The Coriolis Coupled v4 and v6 Fundamentals. MITSURUAKIYAMA,TORU NAKAGAWA,AND Kozo KUCHITSU.High-Resolution Infrared Spectrum of the v2 and vs Bands of CH,D,. KENTAROUKAWAGUCHI,CHIKASHIYAMADA, TAKEHIKO TANAKA, AND EIZI HIROTA.Laser Stark and Laser-Microwave Double-Resonance Spectroscopy of the v2 Band CD31. KIYOKAZUFUKE AND SABURONAGAKURA.Rydberg Transitions of Aniline and N,N-Diethylaniline. W. J. LAFFERTY,R. D. SUENRAM,ANDD. R. JOHNSON. Microwave Spectrum of Acetylene-d2. NOTES SERGIOGHERSETTI,JAN E. ADAMS, AND K. NARAHARIRAO. 12C2H2and 12C2HDBands at 1.1 pm. V. SPIRKO,R. SOVIEKA,S. URBAN,D. PAPOU~EK,M. MATUCHA,M. HOLUB, AND A. VITEK. Calibration of High-Resolution Infrared Spectra Using Spline Functions. ERRATUM. ANNOUNCEMENT.
1 15 31 47 56 70 75 86 98 109
125 139 147
157
162 165 166
NUMBER2, FEBRUARY1977 SHINGKUO SHIH,SIGRIDD. PEYERIMHOFF, ANDROBERTJ. BUENKER.Theoretical Prediction of the Vertical Electronic Spectrum of the C2H Radical. V. E. BONDYBEY.Emission and Excitation Spectra of Ccl, in Solid Argon.
167 180
C. LINT~NANDH. I’. BROIDA.Flame Spectroscopy of TiO. Photoluminescence of the a(QA-X3A) System. K. YAMADA,M. WINNEWISSER, G. WINNEWISSER, L. B. SZALANSKI, ANDM. C. L. GERRY. Inversion of the K, = 0 and 1 Rotational Levels in the Lowest Excited Vibrational State of HNCS. I’. N. BRIER, S. R. JONES,J. G. BAKER, AND C. GEORGHIOU. The Microwave Spectrum of BrFb in Excited Vibrational States. Coriolis Interaction and an Al-A2 Splitting of 1kll # 1 Levels. YUMIKOTANAKAANDKATSUNOSUKE MACHIDA.Anharmonic Potential Function of Formaldehyde. D. A. STEINER,T. R. TODD, C. M. CLAYTON,T. K. MCCUBBIN,JR., ANDS. R. POLO.The Emission Spectrum of i3C1602Near 4.5 pm. ARTHURG. MAKI, ROBERTL. SAMS,AND RICHARD PEARSON, JR. Microwave and Infrared Spectra of Isotopically Substituted Carbonyl Selenide (OCSe). R. ANTTILA,J. KAUPPINEN,M. HUHANANTTI, ANDT. ~URK~~INEN.The Bending Vibration Bands ~4and ~5of HCCI. J. R. DURIC AND W. E. BUCY. Infrared, Raman, and Microwave Spectra of Ethaneselenol and the Determination of the Barriers to Internal Rotation. LETTERTO THEEDITOR J.-P. MONCHALIN, M. J. KELLY,J. E. THOMAS,N. A. KURNIT,ANDA. JAVAN. Accurate Wavelength Measurement of P-Branch Transitions of the Ol’l-[lliO, 03lO]r Band of C120216and Determination of the Band Parameters. ERRATUM. AUTHORINDEXFORVOLUME64. SUBJECTINDEXFORVOLUME64.
389
401
415 429 43% 452 460 474
491 495 496 498
A. D. MCLEAN, G. H. LOEW, AND D. S. BERKOWITZ.Structures and Spectra of the Isomers HNCO, HOCN, HONC, and HCNO from ab Initio Quantum Mechanical Calculations. ALLANRUPPRECHT. Interpretation of the cl-Parameters, Occurring in the MayantsAverbukh Theory of Infrared Intensity, in Terms of the Bond Dipole Moment Concept. Equivalence with the Valence-Optical Theory in the Zeroth Approximation for Linear and Planar Molecules. H. D. BIST, J. S. PARIHAR,ANDJ. C. D. BRAND.The 341-nm Band System of Pyridine N-Oxide. Assignment of the Out-of-Plane Fundamentals. SHELDONGREEN AND RICHARDN. ZARE. Ab Initio Calculation of the SpinRotation Constant for ‘% Diatomics. Test of the Van Vleck Approximation. F. B. ORTHANDM. L. GINTER.The Spectrum and Structure of the He2 Molecule. Characterization of the Triplet States Associated with the UAO’s 4p7r and Splr. HENRY U. LEE AND RICHARDN. ZARE. Chemiluminescent Spectra of YbF and YbCl. SURESHC. MEHROTRA,LAWRENCE L. GRIFFIN,CHESTER0. BRITT,ANDJAMESE. BOGGS.Microwave Spectrum, Structure, Dipole Moment, and Quadrupole Coupling Constants of Isopropylamine. J. R. DURIG AND M. G. GRIFFIN.The Microwave, Raman, Far Infrared, and NMR Spectra and Structure of Methylchloroformate. YVONNE JONES ARONOWITZAND MARTIN GOUTERMAN.Effect of Metal and Substituents on the Quasi-line Spectra of Some Metalloporphyrins. D. BOUCHER, J. BURIE,J. DEMAISON,A. DUBRULLE,J. LEGRAND,ANDB. SEGARD. High-Resolution Rotational Spectrum of Methyl Cyanide. ROBERTA. CRESWELLAND R. H. SCHWENDEMAN. Centrifugal Distortion Constants and Structural Parameters of Methyl Oxirane. E. V. DOKTOROV,I. A. MALKIN, AND V. I. MAN’KO. Dynamical Symmetry of Vibronic Transitions in Polyatomic Molecules and the Franck-Condon Principle. J. W. C. JOHNSANDA. R. W. MCKELLAR.The vg Fundamental Band of HDCO. NOTE G. WINNEWISSER. Millimeter-Wave Spectrum of HDCO. ANNOUNCEMENT.
184
199 211 217
223 233
244 252 267 290 295
302 327 340 341
NUMBER3, MARCH1977 A. BARBE, C. SECROUN,P. JOWE, N. MONNANTEUIL, J. C. DEPANNEMAECKER, B. DUTERAGE,J. BELLET,AND P. PINSON.Infrared and Microwave High343 Resolution Spectrum of the va Band of Ozone. ROBERTA. CRESWELL,P. J. MANOR, R. A. ASSINK,ANDR. H. SCHWENDEMAN. Microwave Spectrum, Torsional Excitation Energy, Partial Structure, and 36.5 Dipole Moment of Oxiranecarboxaldehyde. L. E. BRUS. Electronic Transition Dipole Moments and Excited-State Alignment 376 in Linear Molecules, with Application to Diatomic Rare Gas Halides. 382 C. LINTONANDH. P. BROIDA.Flame Spectroscopy of TiO. Chemiluminescence.