CNDO-CI STUDY OF ELECTRONIC-STRUCTURE AND MOLECULAR GEOMETRY IN GROUND AND EXCITED-STATES .1. MONOFLUOROBENZENE AND PARADIFLUOROBENZENE

被引:32
作者
YADAV, JS [1 ]
MISHRA, PC [1 ]
RAI, DK [1 ]
机构
[1] BANARAS HINDU UNIV, DEPT PHYS, SPECT LAB, VARANASI 5, INDIA
关键词
D O I
10.1080/00268977300101511
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
引用
收藏
页码:193 / 201
页数:9
相关论文
共 28 条
[1]   RELATIONS AMONG BOND ORDER, FORCE CONSTANT AND BOND LENGTH FOR THE C-C AND THE C-N BOND IN CONJUGATED MOLECULES [J].
ANNO, T ;
ITO, M ;
SHIMADA, R ;
SADO, A ;
MIZUSHIMA, W .
BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN, 1957, 30 (06) :638-647
[2]   2750-A BAND SYSTEM OF PHENOL .2. EXTENDED VIBRATIONAL ASSIGNMENTS AND BAND CONTOUR ANALYSIS [J].
BIST, HD ;
BRAND, JCD ;
WILLIAMS, DR .
JOURNAL OF MOLECULAR SPECTROSCOPY, 1967, 24 (04) :413-&
[3]   THE VARIABLE ELECTRONEGATIVITY METHOD .2. PYRROLE [J].
BROWN, RD ;
HEFFERNAN, ML .
AUSTRALIAN JOURNAL OF CHEMISTRY, 1959, 12 (03) :319-329
[4]   STUDY OF FORMALDEHYDE BY A SELF-CONSISTENT ELECTRONEGATIVITY MOLECULAR-ORBITAL METHOD [J].
BROWN, RD ;
HEFFERNAN, ML .
TRANSACTIONS OF THE FARADAY SOCIETY, 1958, 54 (06) :757-764
[5]  
Coulson C. A., 1939, P ROY SOC LOND A MAT, VA169, P413, DOI [DOI 10.1098/RSPA.1939.0006, 10.1098/rspa.1939.0006]
[6]   A NOTE ON BOND ORDERS IN COMPLETELY FILLED MOLECULAR-ORBITAL SHELLS [J].
COULSON, CA .
MOLECULAR PHYSICS, 1968, 15 (03) :317-&
[7]   LOCALIZED AND DELOCALIZED PI-ELECTRON ENERGIES IN MO AND VB THEORY [J].
COULSON, CA ;
NEWTON, MD .
MOLECULAR PHYSICS, 1968, 15 (03) :305-&
[8]   THE ELECTRONIC STRUCTURE OF CONJUGATED SYSTEMS .1. GENERAL THEORY [J].
COULSON, CA ;
LONGUETHIGGINS, HC .
PROCEEDINGS OF THE ROYAL SOCIETY OF LONDON SERIES A-MATHEMATICAL AND PHYSICAL SCIENCES, 1947, 191 (1024) :39-60
[9]  
COULSON CA, 1967, P INT C SPECTROSCOPY, V1, P168
[10]  
COULSON CA, 1949, PHILOS MAG, V40, P1972