VIOLATION OF HUND MULTIPLICITY RULE IN THE ELECTRONICALLY EXCITED-STATES OF CONJUGATED HYDROCARBONS

被引:47
作者
KOSEKI, S
NAKAJIMA, T
TOYOTA, A
机构
[1] TOHOKU UNIV,FAC SCI,DEPT CHEM,SENDAI,MIYAGI 980,JAPAN
[2] YAMAGATA UNIV,FAC GEN EDUC,DEPT CHEM,YAMAGATA 990,JAPAN
来源
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE | 1985年 / 63卷 / 07期
关键词
D O I
10.1139/v85-267
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
引用
收藏
页码:1572 / 1579
页数:8
相关论文
共 40 条
[1]   The interaction of configurations sd-p(2) [J].
Bacher, RF .
PHYSICAL REVIEW, 1933, 43 (04) :264-269
[2]   EXCITED ELECTRONIC STATES OF BENZENE AND NAPHTHALENE [J].
BIRKS, JB ;
CHRISTOP.LG ;
HUEBNER, RH .
NATURE, 1968, 217 (5131) :809-&
[3]   CAN A SQUARE OR EFFECTIVELY SQUARE SINGLET BE GROUND-STATE OF CYCLOBUTADIENE [J].
BORDEN, WT .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (21) :5968-5970
[4]   EFFECTS OF ELECTRON REPULSION IN CONJUGATED HYDROCARBON DIRADICALS [J].
BORDEN, WT ;
DAVIDSON, ER .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (14) :4587-4594
[5]   AB INITIO SCF MO AND CI CALCULATIONS ON ELECTRONIC SPECTRUM OF BENZENE [J].
BUENKER, RJ ;
WHITTEN, JL ;
PETKE, JD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 49 (05) :2261-&
[6]   AB INITIO STUDY ON STABILITY AND GEOMETRY OF CYCLOBUTADIENE [J].
BUENKER, RJ ;
PEYERIMHOFF, SD .
JOURNAL OF CHEMICAL PHYSICS, 1968, 48 (01) :354-+
[7]   CORRELATION EFFECTS IN LOW-LYING EXCITED-STATES OF PPP MODELS OF ALTERNANT HYDROCARBONS .1. QUALITATIVE RULES FOR EFFECT OF LIMITED CONFIGURATION INTERACTION [J].
CIZEK, J ;
PALDUS, J ;
HUBAC, I .
INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1974, 8 (06) :951-970
[8]   GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].
DEWAR, MJS ;
THIEL, W .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907
[9]  
DEWAR MJS, 1979, J AM CHEM SOC, V101, P5556
[10]   LOW-ENERGY ELECTRON-IMPACT STUDY OF FIRST, SECOND, AND THIRD TRIPLET STATES OF BENZENE [J].
DOERING, JP .
JOURNAL OF CHEMICAL PHYSICS, 1969, 51 (07) :2866-&