CATALYTIC EFFECT OF BF3 ON ELECTROPHILIC HYDROGEN-EXCHANGE REACTION IN BENZENE - ABINITIO SCF MOLCAO STUDY ON SYSTEMS C6H6+HF AND C6H6+HBF4

被引:21
作者
ALAGONA, G [1 ]
SCROCCO, E [1 ]
SILLA, E [1 ]
TOMASI, J [1 ]
机构
[1] CNR,CHIM QUANTIST & ENERGET MOLEC LAB,I-56100 PISA,ITALY
来源
THEORETICA CHIMICA ACTA | 1977年 / 45卷 / 02期
关键词
D O I
10.1007/BF00552547
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:127 / 136
页数:10
相关论文
共 8 条
[2]  
Ditchfield R., 1971, J CHEM PHYS, V54, P724
[3]   MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .15. PROTONATION OF BENZENE [J].
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) :6901-&
[4]   THE BASICITY OF AROMATIC HYDROCARBONS .1. UNSUBSTITUTED POLYNUCLEAR COMPOUNDS [J].
MACKOR, EL ;
HOFSTRA, A ;
VANDERWAALS, JH .
TRANSACTIONS OF THE FARADAY SOCIETY, 1958, 54 (01) :66-83
[5]   RELATIVE BASICITY OF THE METHYLBENZENES [J].
MCCAULAY, DA ;
LIEN, AP .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1951, 73 (05) :2013-2017
[6]  
NELSON KL, 1955, CHEM PETROLEUM HYDRO, V3, pCH56
[7]   AROMATIC SUBSTITUTION .4. PROTONATED AND DEUTERATED ALKYLBENZENE TETRAFLUOROBORATE COMPLEXES [J].
OLAH, GA ;
KUHN, SJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 80 (24) :6535-6539
[8]   ELECTRONIC-STRUCTURE OF FRIEDEL CRAFTS CATALYSTS BF3+HF [J].
SILLA, E ;
SCROCCO, E ;
TOMASI, J .
THEORETICA CHIMICA ACTA, 1975, 40 (04) :343-348