USE OF ABINITIO COMPUTATIONAL RESULTS AND EXPERIMENTAL FREQUENCIES TO CONSTRUCT THE INTERNAL ROTATIONAL POTENTIAL FUNCTION FOR ACROLEIN

被引:29
作者
DEMARE, GR [1 ]
PANCHENKO, YN [1 ]
ABRAMENKOV, AV [1 ]
机构
[1] MV LOMONOSOV STATE UNIV,DEPT CHEM,MOLEC SPECT LAB,MOSCOW 117234,USSR
关键词
D O I
10.1016/0022-2860(87)80073-X
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:327 / 335
页数:9
相关论文
共 30 条
[1]  
ABRAMENKOV AV, 1981, ZH STRUKT KHIM, V22, P42
[2]   NEAR ULTRA-VIOLET SPECTRA OF S-TRANS AND A SECOND ROTAMER OF ACROLEIN VAPOUR [J].
ALVES, ACP ;
CHRISTOFFERSEN, J ;
HOLLAS, JM .
MOLECULAR PHYSICS, 1971, 20 (04) :625-+
[3]   MAGNETIC ROTATION AND ABSORPTION SPECTRA OF CIS AND TRANS ACROLEIN [J].
BAIR, EJ ;
GOETZ, W ;
RAMSAY, DA .
CANADIAN JOURNAL OF PHYSICS, 1971, 49 (21) :2710-&
[4]   MOLECULAR-STRUCTURE OF S-CIS-ACROLEIN AND S-TRANS-ACROLEIN DETERMINED BY MICROWAVE SPECTROSCOPY [J].
BLOM, CE ;
GRASSI, G ;
BAUDER, A .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1984, 106 (24) :7427-7431
[5]   MICROWAVE-SPECTRUM, ROTATIONAL-CONSTANTS AND DIPOLE-MOMENT OF S-CIS ACROLEIN [J].
BLOM, CE ;
BAUDER, A .
CHEMICAL PHYSICS LETTERS, 1982, 88 (01) :55-58
[6]   S-TRANS AND S-CIS ACROLEIN - TRAPPING FROM THERMAL MOLECULAR-BEAMS AND UV-INDUCED ISOMERIZATION IN ARGON MATRICES [J].
BLOM, CE ;
MULLER, RP ;
GUNTHARD, HH .
CHEMICAL PHYSICS LETTERS, 1980, 73 (03) :483-486
[7]   A MOLECULAR-ORBITAL STUDY OF THE ROTATION ABOUT THE C-C BOND IN 1,3-BUTADIENE [J].
BOCK, CW ;
GEORGE, P ;
TRACHTMAN, M .
THEORETICA CHIMICA ACTA, 1984, 64 (04) :293-311
[8]  
BRAND JCD, 1963, DISCUSS FARADAY SOC, V35, P184
[9]   RAMAN-SPECTRUM AND TORSIONAL POTENTIAL FUNCTION OF ACROLEIN [J].
CARREIRA, LA .
JOURNAL OF PHYSICAL CHEMISTRY, 1976, 80 (11) :1149-1152
[10]   MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF TRANS-ACROLEIN [J].
CHERNIAK, EA ;
COSTAIN, CC .
JOURNAL OF CHEMICAL PHYSICS, 1966, 45 (01) :104-&