ABINITIO AND LMO STUDIES ON THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .7. THE FORMIC-ACID DIMER - INFLUENCE OF HYDROGEN-BONDING AND ISOTOPIC-SUBSTITUTION

被引:13
作者
BERCKMANS, D
FIGEYS, HP
MARECHAL, Y
GEERLINGS, P
机构
[1] FREE UNIV BRUSSELS,FAC SCI,DEPT ORGAN & PHYS ORGAN CHEM,B-1050 BRUSSELS,BELGIUM
[2] CEN,DEPT RECH FONDAMENTALE,SERV PHYS,F-38041 GRENOBLE,FRANCE
[3] VRIJE UNIV BRUSSEL,FAC WETENSCHAPPEN,B-1050 BRUSSELS,BELGIUM
关键词
D O I
10.1021/j100312a017
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
引用
收藏
页码:66 / 73
页数:8
相关论文
共 84 条
[31]  
ENGLAND W, 1971, FORTSCHR CHEM FORSCH, V23, P31
[32]   ABINITIO AND LMO STUDIES ON THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .3. NH3 [J].
FIGEYS, HP ;
BERCKMANS, D ;
GEERLINGS, P .
JOURNAL OF MOLECULAR STRUCTURE, 1979, 57 (DEC) :271-281
[33]   ABINITIO AND LMO STUDIES OF INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .1. METHOD, APPLICATION TO CYANOACETYLENE AND COMPARISON WITH SEMIEMPIRICAL ALL-VALENCE THEORIES [J].
FIGEYS, HP ;
GEERLINGS, P ;
VANALSENOY, C .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1979, 75 :528-541
[34]   ABINITIO AND LMO STUDIES OF INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .2. CHLOROACETONITRILES [J].
FIGEYS, HP ;
GEERLINGS, P ;
VANALSENOY, C .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1979, 75 :542-555
[35]   ABINITIO AND LOCALIZED MOLECULAR-ORBITAL STUDIES OF THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .4. COMPLEXES BETWEEN CHLOROFORM AND 3 ALIPHATIC NITRILES (CH3CN, CCL3CN AND HCCCN) - INFLUENCE OF HYDROGEN-BONDING ON THE CH AND CN INFRARED CHARACTERISTICS IN PROTON DONOR AND ACCEPTOR MOLECULESOR [J].
FIGEYS, HP ;
GEERLINGS, P ;
BERCKMANS, D ;
VANALSENOY, C .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 :721-740
[36]   ABINITIO AND LOCALIZED MOLECULAR-ORBITAL STUDIES OF THE INTEGRATED-INTENSITIES OF INFRARED-ABSORPTION BANDS OF POLYATOMIC-MOLECULES .5. MINIMAL-BASIS-SET AND EXTENDED-BASIS-SET RESULTS FOR THE PYRAMIDAL AX3 SERIES (A=N, P, X=H, F) [J].
FIGEYS, HP ;
BERCKMANS, D ;
GEERLINGS, P .
JOURNAL OF THE CHEMICAL SOCIETY-FARADAY TRANSACTIONS II, 1981, 77 :2091-2103
[37]   AB-INITIO CALCULATIONS ON STRUCTURE OF MONOMERIC AND DIMERIC FORMIC-ACID [J].
FLOOD, E .
JOURNAL OF MOLECULAR STRUCTURE, 1974, 21 (02) :221-229
[38]   CANONICAL CONFIGURATIONAL INTERACTION PROCEDURE [J].
FOSTER, JM ;
BOYS, SF .
REVIEWS OF MODERN PHYSICS, 1960, 32 (02) :300-302
[39]   INFLUENCE OF ELECTRICAL AND MECHANICAL ANHARMONICITY ON THE VIBRATIONAL TRANSITION MOMENTS OF DIATOMIC AND POLYATOMIC-MOLECULES [J].
GEERLINGS, P ;
BERCKMANS, D ;
FIGEYS, HP .
JOURNAL OF MOLECULAR STRUCTURE, 1979, 57 (DEC) :283-297
[40]   DYNAMICS OF HYDROGEN-BOND EXCHANGE IN CARBOXYLIC-ACID DIMERS [J].
GRAF, F ;
MEYER, R ;
HA, TK ;
ERNST, RR .
JOURNAL OF CHEMICAL PHYSICS, 1981, 75 (06) :2914-2918