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

[1] SOLUBILITY OF HYDROGEN CHLORIDE AT LOW TEMPERATURES - A MEASURE OF THE BASIC PROPERTIES OF AROMATIC NUCLEI - PI-COMPLEX AND SIGMA-COMPLEX AND THEIR ROLE IN AROMATIC SUBSTITUTION
BROWN, HC
BRADY, JD
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1952, 74 (14) : 3570 - 3582
[2] Ditchfield R., 1971, J CHEM PHYS, V54, P724
[3] MOLECULAR-ORBITAL THEORY OF ELECTRONIC-STRUCTURE OF ORGANIC COMPOUNDS .15. PROTONATION OF BENZENE
HEHRE, WJ
POPLE, JA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (20) : 6901 - &
[4] THE BASICITY OF AROMATIC HYDROCARBONS .1. UNSUBSTITUTED POLYNUCLEAR COMPOUNDS
MACKOR, EL
HOFSTRA, A
VANDERWAALS, JH
[J]. TRANSACTIONS OF THE FARADAY SOCIETY, 1958, 54 (01): : 66 - 83
[5] RELATIVE BASICITY OF THE METHYLBENZENES
MCCAULAY, DA
LIEN, AP
[J]. 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
OLAH, GA
KUHN, SJ
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1959, 80 (24) : 6535 - 6539
[8] ELECTRONIC-STRUCTURE OF FRIEDEL CRAFTS CATALYSTS BF3+HF
SILLA, E
SCROCCO, E
TOMASI, J
[J]. THEORETICA CHIMICA ACTA, 1975, 40 (04): : 343 - 348