OVERLAP REPULSION AS AN IMPORTANT CONTRIBUTOR TO AROMATICITY

被引:63
作者
EPIOTIS, ND [1 ]
YATES, RL [1 ]
机构
[1] UNIV WASHINGTON,DEPT CHEM,SEATTLE,WA 98195
关键词
D O I
10.1021/ja00418a023
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:461 / 469
页数:9
相关论文
共 21 条
[1]   QUANTUM ORGANIC PHOTOCHEMISTRY .1. INTRAMOLECULAR POTENTIAL ENERGY SURFACES FOR LOWEST 3-PI-PI] STATE OF POLYENES [J].
BAIRD, NC ;
WEST, RM .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (18) :4427-&
[2]   MICROWAVE SPECTRUM AND BARRIER TO INTERNAL ROTATION OF CIS-1-FLUOROPROPYLENE [J].
BEAUDET, RA ;
BRIGHTWI.E .
JOURNAL OF CHEMICAL PHYSICS, 1962, 37 (05) :1133-&
[3]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .21. ROTATIONAL POTENTIALS FOR GEMINAL METHYL-GROUPS [J].
CREMER, D ;
BINKLEY, JS ;
POPLE, JA ;
HEHRE, WJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (22) :6900-6903
[4]  
DEWAR MJS, 1969, MOLECULAR ORBITAL TH
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   CALCULATIONS OF BARRIERS TO INTERNAL-ROTATION IN PROPENE AND MONOFLUOROPROPENES [J].
ENGLISH, AD ;
PALKE, WE .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (26) :8536-8538
[7]   IMPORTANCE OF NONBONDED ATTRACTION IN 2-BUTENE [J].
EPIOTIS, ND ;
YATES, RL ;
BERNARDI, F .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (21) :5961-5968
[8]   ATTRACTIVE NONBONDED INTERACTIONS IN 1-SUBSTITUTED PROPENES - CONSEQUENCES FOR GEOMETRIC AND CONFORMATIONAL ISOMERISM [J].
EPIOTIS, ND ;
BJORKQUIST, D ;
BJORKQUIST, L ;
SARKANEN, S .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (23) :7558-7562
[9]   OPEN-SHELL INTERACTIONS, NONBONDED ATTRACTION, AND AROMATICITY - IMPLICATIONS FOR REGIOCHEMISTRY [J].
EPIOTIS, ND ;
SARKANEN, S ;
BJORKQUI.D ;
BJORKQUI.L ;
YATES, R .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1974, 96 (13) :4075-4084
[10]   ATTRACTIVE NONBONDED INTERACTIONS IN ORGANIC-MOLECULES [J].
EPIOTIS, ND .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1973, 95 (10) :3087-3096