MAGNETIC CIRCULAR-DICHROISM SPECTRA OF TRIPHENYLENE AND CORONENE

被引:9
作者
YAMAGUCHI, H
HIGASHI, M
机构
[1] Department of Chemistry, Faculty of Science, Kumamoto University, Kumamoto, 860, Kurokami
关键词
D O I
10.1016/0009-2614(79)80072-X
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
The absorption spectra of triphenylene (I) and coronene (II) are assigned by using the MCD spectra and the results of the SCF screened potential π-MO CI calculations. The calculated Faraday A/D values for the 1E and 1E1u excited states of I and II are in excellent agreement with the experimental values, in contrast to the calculated Faraday B value for the 1E1u state of II. © 1979.
引用
收藏
页码:77 / 80
页数:4
相关论文
共 19 条
[1]  
BADOZ J, 1969, S FARADAY SOC, V3, P27
[2]   A COMPARATIVE STUDY OF SCFMO CALCULATIONS ON ALTERNANT AND NONALTERNANT HYDROCARBONS [J].
BLOOR, JE ;
GILSON, BR ;
BREARLEY, N .
THEORETICA CHIMICA ACTA, 1967, 8 (01) :35-&
[3]   MAGNETIC OPTICAL ACTIVITY [J].
BUCKINGHAM, AD ;
STEPHENS, PJ .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1966, 17 :399-+
[4]   MAGNETIC CIRCULAR DISCHROISM [J].
CALDWELL, D ;
THORNE, JM ;
EYRRNG, H .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 1971, 22 :259-&
[5]  
Clar E., 1964, POLYCYCLIC HYDROCARB, VI
[6]  
CLAR E, POLYCYCLIC HYDROCARB, V2
[7]   CORRELATION EFFECTS OF PI ELECTRONS .2. LOW-LYING EXCITATIONS OF POLYCYCLIC HYDROCARBONS [J].
GUTFREUND, H ;
LITTLE, WA .
JOURNAL OF CHEMICAL PHYSICS, 1969, 50 (10) :4468-+
[8]   MAGNETIC CIRCULAR-DICHROISM SPECTRA OF DECACYCLENE AND HEXABENZOCORONENE [J].
HIGASHI, M ;
YAMAGUCHI, H .
JOURNAL OF CHEMICAL PHYSICS, 1979, 70 (05) :2198-2200
[9]   OBSERVED AND CALCULATED FARADAY B TERMS IN MONOSUBSTITUTED BENZENES [J].
KAITO, A ;
TAJIRI, A ;
HATANO, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (02) :384-388
[10]   CALCULATIONS OF MAGNETIC-MOMENTS OF SOME BENZENE-DERIVATIVES [J].
KAITO, A ;
TAJIRI, A ;
HATANO, M .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (18) :5059-5062