THEORETICAL-STUDY OF ELECTROPHILIC REACTIONS .2. ELECTRONIC-STRUCTURE OF PROTOFORMYL AND PROTOACETYLIUM DICATIONS

被引:9
作者
CREMASCHI, P
SIMONETTA, M
机构
[1] UNIV MILAN,CNR,I-20133 MILAN,ITALY
[2] UNIV MILAN,INST PHYS CHEM,I-20133 MILAN,ITALY
来源
THEORETICA CHIMICA ACTA | 1977年 / 43卷 / 04期
关键词
D O I
10.1007/BF00548690
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:351 / 355
页数:5
相关论文
共 13 条
[2]   AB-INITIO INVESTIGATION OF HCO+ AND COH+ MOLECULE-IONS - STRUCTURE AND POTENTIAL SURFACES FOR DISSOCIATION IN GROUND AND EXCITED-STATES [J].
BRUNA, PJ ;
PEYERIMHOFF, SD ;
BUENKER, RJ .
CHEMICAL PHYSICS, 1975, 10 (2-3) :323-334
[3]  
CLIFTON DG, 1964, SCI TECHNICAL AEROSP, V2, P2723
[4]   THEORETICAL STUDY OF ELECTROPHILIC AROMATIC-SUBSTITUTION .1. ELECTRONIC-STRUCTURE OF NO2+ [J].
CREMASCHI, P ;
SIMONETT.M .
THEORETICA CHIMICA ACTA, 1974, 34 (03) :175-182
[5]   SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .9. EXTENDED GAUSSIAN-TYPE BASIS FOR MOLECULAR-ORBITAL STUDIES OF ORGANIC MOLECULES [J].
DITCHFIELD, R ;
HEHRE, WJ ;
POPLE, JA .
JOURNAL OF CHEMICAL PHYSICS, 1971, 54 (02) :724-+
[6]   MO SCF studies of the protonation of carbon monoxide and the netrogen molecule using gaussian basis sets [J].
Forsen, S. ;
Roos, B. .
CHEMICAL PHYSICS LETTERS, 1970, 6 (03) :128-132
[7]  
HEHRE WJ, 236 QCPE PROGR
[8]   Non-empirical molecular orbital calculations on the protonation of carbon monoxide [J].
Jansen, H. B. ;
Ros, P. .
CHEMICAL PHYSICS LETTERS, 1969, 3 (03) :140-143
[9]   STABLE CARBOCATIONS .128. PROTONATED ACYCLIC CARBOXYLIC-ACID ANHYDRIDES AND THEIR CLEAVAGE TO OXOCARBENIUM IONS - QUESTION OF FORMYL CATION IN SUPERACID MEDIA [J].
OLAH, GA ;
MO, YK ;
SZILAGYI, P ;
DUNNE, K .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (12) :4200-&
[10]   ELECTROPHILIC REACTIONS AT SINGLE BONDS .5. NITRATION AND NITROLYSIS OF ALKANES AND CYCLOALKANES WITH NITRONIUM SALTS [J].
OLAH, GA ;
LIN, HCH .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1971, 93 (05) :1259-&