AROMATICITY IN SMALL RINGS CONTAINING BORON AND CARBON ((CH)2(BH)N, N=1,2) - COMPARISONS WITH ISOELECTRONIC CARBOCATIONS - THE DECISIVE ROLES OF ORBITAL MIXING AND NONBONDED 1,3-INTERACTIONS IN THE STRUCTURES OF 4-MEMBERED RINGS

被引:158
作者
KROGHJESPERSEN, K
CREMER, D
DILL, JD
POPLE, JA
SCHLEYER, PV
机构
[1] UNIV ERLANGEN NURNBERG,INST ORGAN CHEM,D-8520 ERLANGEN,FED REP GER
[2] UNIV COLOGNE,LEHRSTUHL THEORET CHEM,D-5000 COLOGNE 41,FED REP GER
[3] UNIV BASEL,INST PHYS CHEM,CH-4056 BASEL,SWITZERLAND
[4] CARNEGIE MELLON UNIV,DEPT CHEM,PITTSBURGH,PA 15213
关键词
D O I
10.1021/ja00400a018
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:2589 / 2594
页数:6
相关论文
共 64 条
[41]  
KROGHJESPERSEN K, UNPUBLISHED
[42]   Note on an approximation treatment for many-electron systems [J].
Moller, C ;
Plesset, MS .
PHYSICAL REVIEW, 1934, 46 (07) :0618-0622
[43]   ELECTRONIC POPULATION ANALYSIS ON LCAO-MO MOLECULAR WAVE FUNCTIONS .1. [J].
MULLIKEN, RS .
JOURNAL OF CHEMICAL PHYSICS, 1955, 23 (10) :1833-1840
[44]  
Olah G.A., 1970, J AM CHEM SOC, V92, P1430
[45]   STABLE CARBONIUM IONS .89. TETRAMETHYLCYCLOBUTENIUM DICATION AN AROMATIC 2 PI-ELECTRON SYSTEM [J].
OLAH, GA ;
BOLLINGE.JM ;
WHITE, AM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1969, 91 (13) :3667-&
[46]   NOVEL AROMATIC SYSTEMS .4. CYCLOBUTADIENE DICATIONS [J].
OLAH, GA ;
STARAL, JS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (20) :6290-6304
[47]   INDO THEORETICAL STUDIES .6. CYCLOPROPENYL, AZIRINYL, AND DIAZIRINYL CATIONS [J].
PITTMAN, CU ;
KRESS, A ;
PATTERSO.TB ;
WALTON, P ;
KISPERT, LD .
JOURNAL OF ORGANIC CHEMISTRY, 1974, 39 (03) :373-378
[48]   INDO THEORETICAL STUDIES .7. CYCLOBUTADIENYL DICATIONS [J].
PITTMAN, CU ;
KRESS, A ;
KISPERT, LD .
JOURNAL OF ORGANIC CHEMISTRY, 1974, 39 (03) :378-382
[49]   MOLECULAR ORBITAL THEORY OF ELECTRONIC STRUCTURE OF ORGANIC COMPOUNDS .1. SUBSTITUENT EFFECTS AND DIPOLE MOMENTS [J].
POPLE, JA ;
GORDON, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1967, 89 (17) :4253-&
[50]   SELF-CONSISTENT ORBITALS FOR RADICALS [J].
POPLE, JA ;
NESBET, RK .
JOURNAL OF CHEMICAL PHYSICS, 1954, 22 (03) :571-572