PHYSICAL PROPERTIES AND CHEMICAL REACTIVITY OF ALTERNANT HYDROCARBONS AND RELATED COMPOUNDS .17. ELECTRONIC SPECTRA OF AMINO AND HYDROXY DERIVATIVES OF BENZENOID HYDROCARBONS

被引:56
作者
TICHY, M
ZAHRADNI.R
机构
[1] Institute of Physical Chemistry, Czechoslovak Academy of Sciences
关键词
D O I
10.1021/j100723a011
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 electronic absorption spectra of the monoamino and monohydroxy derivatives of benzene, naphthalene, and of derivatives of phenanthrene, pyrene, and benzo[c]phenanthrene were recorded in 50% aqueous methanol and in alkaline (0.2 M NaOH) 50% aqueous methanol. For 11 representatives, the position of the first S→T1 transitions were estimated from phosphorescence spectra. It was found that several first bands of the absorption curves (S0→Sx transitions) can be reasonably interpreted by means of the unmodified method of Pariser, Parr, and Pople, using the Mataga-Nishimoto approximation for the electron repulsion integrals.
引用
收藏
页码:534 / &
相关论文
共 57 条
[42]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .1. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :466-471
[43]   A SEMI-EMPIRICAL THEORY OF THE ELECTRONIC SPECTRA AND ELECTRONIC STRUCTURE OF COMPLEX UNSATURATED MOLECULES .2. [J].
PARISER, R ;
PARR, RG .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (05) :767-776
[44]   AN IMPROVEMENT IN THE PI-ELECTRON APPROXIMATION IN LCAO MO THEORY [J].
PARISER, R .
JOURNAL OF CHEMICAL PHYSICS, 1953, 21 (03) :568-569
[45]  
PARKANYI C, IN PRESS
[46]  
PARR RG, 1963, QUANTUM THEORY MOLEC
[47]  
PERKAMPUS HH, UV ATLAS ORGANIC ED, V5
[48]   ELECTRON INTERACTION IN UNSATURATED HYDROCARBONS [J].
POPLE, JA .
TRANSACTIONS OF THE FARADAY SOCIETY, 1953, 49 (12) :1375-1385
[49]   LCAO-MO-SCF-CI SEMI-EMPIRICAL PI-ELECTRON CALCULATIONS ON HETEROAROMATIC SYSTEMS .I. HYDROXY AROMATIC COMPOUNDS [J].
PUKANIC, GW ;
FORSHEY, DR ;
WEGENER, JD ;
GREENSHI.JB .
THEORETICA CHIMICA ACTA, 1967, 9 (01) :38-&
[50]   On anthraquinone-α-sulphonic acids. [J].
Schmidt, RE .
BERICHTE DER DEUTSCHEN CHEMISCHEN GESELLSCHAFT, 1904, 37 :66-72