LOCALIZED MOLECULAR-ORBITALS FOR 1,2-DICARBAHEXABORANE(6) AND 1,6-DICARBAHEXABORANE(6) - OPEN 3-CENTER BOND AND IMPLICATIONS FOR CARBORANE TOPOLOGY

被引:39
作者
EPSTEIN, IR
MARYNICK, DS
LIPSCOMB, WN
机构
[1] BRANDEIS UNIV,DEPT CHEM,WALTHAM,MA 02154
[2] HARVARD UNIV,DEPT CHEM,CAMBRIDGE,MA 02138
关键词
D O I
10.1021/ja00787a011
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1760 / 1766
页数:7
相关论文
共 30 条
[21]   CONVERGENCE IN ORBITAL LOCALIZATION PROCEDURES [J].
MARYNICK, DS ;
SWITKES, E .
CHEMICAL PHYSICS LETTERS, 1972, 15 (01) :133-&
[22]   FRACTIONAL 3-CENTER BONDS IN CARBORANES [J].
MARYNICK, DS ;
LIPSCOMB, WN .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (05) :1748-&
[23]  
MCKOWN GL, 1971, INORG CHEM, V10, P1350
[24]   MOLECULAR ORBITALS IN SOME BORON COMPOUNDS [J].
MOORE, EB ;
LIPSCOMB, WN ;
LOHR, LL .
JOURNAL OF CHEMICAL PHYSICS, 1961, 35 (04) :1329-&
[25]   MOLECULAR STRUCTURE OF CARBORANES . MOLECULAR AND CRYSTAL STRUCTURE OF O-B10BR3H7C2H2 [J].
POTENZA, JA ;
LIPSCOMB, WN .
INORGANIC CHEMISTRY, 1966, 5 (09) :1478-&
[26]  
POTENZA JA, 1966, INORG CHEM, V5, P1471, DOI 10.1021/ic50043a001
[27]  
POTENZA JA, 1966, INORG CHEM, V5, P1483, DOI 10.1021/ic50043a003
[28]   NEW DEVELOPMENTS IN MOLECULAR ORBITAL THEORY [J].
ROOTHAAN, CCJ .
REVIEWS OF MODERN PHYSICS, 1951, 23 (02) :69-89
[29]   LOCALIZED BONDS IN SELF-CONSISTENT-FIELD WAVE FUNCTIONS FOR POLYATOMIC MOLECULES .2. BORON HYDRIDES [J].
SWITKES, E ;
LIPSCOMB, WN ;
NEWTON, MD .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1970, 92 (13) :3847-&
[30]   LOCALIZED BONDS IN SCF WAVEFUNCTIONS FOR POLYATOMIC MOLECULES .I. DIBORANE [J].
SWITKES, E ;
STEVENS, RM ;
LIPSCOMB, WN .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (05) :2085-&