THE BUTADIENE-1,3 INTERNAL-ROTATION POTENTIAL FUNCTION OBTAINED FROM ABINITIO CALCULATION AND EXPERIMENTAL-DATA

被引:39
作者
PANCHENKO, YN [1 ]
ABRAMENKOV, AV [1 ]
BOCK, CW [1 ]
机构
[1] PHILADELPHIA COLL TEXT & SCI,DEPT CHEM,PHILADELPHIA,PA 19144
关键词
D O I
10.1016/0022-2860(86)80150-8
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:87 / 92
页数:6
相关论文
共 11 条
  • [1] REAPPRAISAL OF THE STRUCTURE OF THE 2ND STABLE CONFORMER OF BUTA-1,3-DIENE
    BOCK, CW
    GEORGE, P
    TRACHTMAN, M
    ZANGER, M
    [J]. JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1979, (01): : 26 - 34
  • [2] A MOLECULAR-ORBITAL STUDY OF THE ROTATION ABOUT THE C-C BOND IN 1,3-BUTADIENE
    BOCK, CW
    GEORGE, P
    TRACHTMAN, M
    [J]. THEORETICA CHIMICA ACTA, 1984, 64 (04): : 293 - 311
  • [3] STRUCTURE AND VIBRATIONAL ASSIGNMENT OF GAUCHE-1,3-BUTADIENE
    BOCK, CW
    PANCHENKO, YN
    KRASNOSHCHIOKOV, SV
    PUPYSHEV, VI
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 1985, 129 (1-2) : 57 - 67
  • [4] BOCK CW, 1984, J MOL STRUC-THEOCHEM, V109, P1
  • [5] DEMARE GR, 1984, J MOL STRUC-THEOCHEM, V109, P103
  • [6] DEMARE GR, 1984, J MOL STRUC-THEOCHEM, V107, P127
  • [7] PERIODIC POTENTIAL FUNCTIONS FOR PSEUDOROTATION AND INTERNAL-ROTATION
    LEWIS, JD
    MALLOY, TB
    CHAO, TH
    LAANE, J
    [J]. JOURNAL OF MOLECULAR STRUCTURE, 1972, 12 (03) : 427 - &
  • [8] ON THE 2ND ROTATIONAL ISOMERIC FORM OF BUTADIENE-1,3
    PANCHENKO, YN
    ABRAMENKOV, AV
    MOCHALOV, VI
    ZENKIN, AA
    KERESZTURY, G
    JALSOVSZKY, G
    [J]. JOURNAL OF MOLECULAR SPECTROSCOPY, 1983, 99 (02) : 288 - 293
  • [9] PANCHENKO YN, 1985, J MOL STRUCT, V130, P355, DOI 10.1016/0022-2860(85)87017-4