CIS AND TRANS METHYL NITRITE - EFFUSIVE MOLECULAR-BEAM IR MATRIX SPECTRA - THERMODYNAMICS AND ABINITIO CALCULATION OF THE CIS-TRANS INTERCONVERSION

被引:62
作者
FELDER, P
HA, TK
DWIVEDI, AM
GUNTHARD, HH
机构
关键词
D O I
10.1016/0584-8539(81)80163-8
中图分类号
O433 [光谱学];
学科分类号
0703 ; 070302 ;
摘要
引用
收藏
页码:337 / 345
页数:9
相关论文
共 22 条
[11]  
GWINN WD, 1968, B AM PHYS SOC, V13, P831
[12]   TRAPPING OF UNSTABLE MOLECULAR-CONFORMATIONS IN ARGON MATRICES - GAUCHE-1,2-DIFLUOROETHANE AND TRANS-1,2-DIFLUOROETHANE [J].
HUBERWALCHLI, P ;
GUNTHARD, HH .
CHEMICAL PHYSICS LETTERS, 1975, 30 (03) :347-351
[13]   TRAPPING OF UNSTABLE CONFORMATIONS FROM THERMAL MOLECULAR-BEAMS IN ARGON MATRICES - 1,2-DIFLUOROETHANE AND 1,3-BUTADIENE, IR-SPECTRA AND CONFORMER EQUILIBRIA [J].
HUBERWALCHLI, P ;
GUNTHARD, HH .
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY, 1981, 37 (05) :285-304
[14]  
KLABOE P, 1967, SPECTROCHIM ACTA A, V23, P2959
[15]   VIBRATIONAL ASSIGNMENTS FOR METHYL NITRITE ROTAMERS [J].
OGILVIE, JF .
JOURNAL OF THE CHEMICAL SOCIETY-CHEMICAL COMMUNICATIONS, 1973, (13) :450-451
[16]  
OWEN NL, 1963, P CHEM SOC LONDON, P264
[17]   Energy levels and thermodynamic functions for molecules with internal rotation I rigid frame with attached tops [J].
Pitzer, KS ;
Gwinn, WD .
JOURNAL OF CHEMICAL PHYSICS, 1942, 10 (07) :428-440
[18]   EFFICIENT ABINITIO GRADIENT PROGRAM [J].
PULAY, P .
THEORETICA CHIMICA ACTA, 1979, 50 (04) :299-312
[19]   SYSTEMATIC ABINITIO GRADIENT CALCULATION OF MOLECULAR GEOMETRIES, FORCE CONSTANTS, AND DIPOLE-MOMENT DERIVATIVES [J].
PULAY, P ;
FOGARASI, G ;
PANG, F ;
BOGGS, JE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1979, 101 (10) :2550-2560
[20]  
TRUE NS, COMMUNICATION