THEORETICAL-STUDY OF HEXAPHOSPHABENZENE AND ITS VALENCE ISOMERS - IS CYCLIC P6 STABLE

被引：47
作者：
NAGASE, S
ITO, K
机构：
来源：
CHEMICAL PHYSICS LETTERS | 1986年 / 126卷 / 01期
关键词：
D O I：
10.1016/0009-2614(86)85113-2
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：43 / 47
页数：5
相关论文
共 20 条
[1]   THEORETICAL-STUDY OF THE STABILITY OF MOLECULAR P2, P4 (TD), AND P8 (OH) [J].
AHLRICHS, R ;
BRODE, S ;
EHRHARDT, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (25) :7260-7264
[2]   MNDO CALCULATIONS FOR SOME ALLOTROPES, HYDRIDES, AND OXIDES OF PHOSPHORUS [J].
BAIRD, NC .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1984, 62 (02) :341-347
[3]   GROUND STATES OF CONJUGATED MOLECULES .11. IMPROVED TREATMENT OF HYDROCARBONS [J].
DEWAR, MJS ;
DELLANO, C .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (04) :789-&
[4]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .23. A POLARIZATION-TYPE BASIS SET FOR 2ND-ROW ELEMENTS [J].
FRANCL, MM ;
PIETRO, WJ ;
HEHRE, WJ ;
BINKLEY, JS ;
GORDON, MS ;
DEFREES, DJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1982, 77 (07) :3654-3665
[5]   HOMODESMOTIC REACTIONS FOR ASSESSMENT OF STABILIZATION ENERGIES IN BENZENOID AND OTHER CONJUGATED CYCLIC HYDROCARBONS [J].
GEORGE, P ;
TRACHTMAN, M ;
BOCK, CW ;
BRETT, AM .
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 2, 1976, (11) :1222-1227
[6]   USE OF 90DEGREES-1,3-BUTADIENE AS A REFERENCE STRUCTURE FOR EVALUATION OF STABILIZATION ENERGIES FOR BENZENE AND OTHER CONJUGATED CYCLIC HYDROCARBONS [J].
GEORGE, P ;
TRACHTMAN, M ;
BOCK, CW ;
BRETT, AM .
TETRAHEDRON, 1976, 32 (12) :1357-1362
[7]   ALTERNATIVE APPROACH TO PROBLEM OF ASSESSING DESTABILIZATION ENERGIES (STRAIN ENERGIES) IN CYCLIC HYDROCARBONS [J].
GEORGE, P ;
TRACHTMAN, M ;
BOCK, CW ;
BRETT, AM .
TETRAHEDRON, 1976, 32 (03) :317-323
[8]   ALTERNATIVE APPROACH TO PROBLEM OF ASSESSING STABILIZATION ENERGIES IN CYCLIC CONJUGATED HYDROCARBONS [J].
GEORGE, P ;
TRACHTMAN, M ;
BOCK, CW ;
BRETT, AM .
THEORETICA CHIMICA ACTA, 1975, 38 (02) :121-129
[9]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .22. SMALL SPLIT-VALENCE BASIS-SETS FOR 2ND-ROW ELEMENTS [J].
GORDON, MS ;
BINKLEY, JS ;
POPLE, JA ;
PIETRO, WJ ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (10) :2797-2803
[10]   ON THE NONOBSERVABILITY OF CUBIC P8 [J].
HALEVI, EA ;
BOCK, H ;
ROTH, B .
INORGANIC CHEMISTRY, 1984, 23 (25) :4376-4378
12