AB-INITIO STUDY OF AAC1 HYDROLYSIS MECHANISM OF FORMAMIDE

被引:13
作者
HOPKINSON, AC
CSIZMADI, IG
机构
[1] YORK UNIV, DEPT CHEM, DOWNSVIEW, ONTARIO, CANADA
[2] UNIV TORONTO, LASH MILLER CHEM LABS, TORONTO 181, ONTARIO, CANADA
来源
THEORETICA CHIMICA ACTA | 1973年 / 31卷 / 01期
关键词
D O I
10.1007/BF00527441
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:83 / 89
页数:7
相关论文
共 21 条
[1]  
BELL RP, 1959, PROTON CHEMISTRY
[2]   N- VERSUS O-PROTON AFFINITIES OF AMIDE GROUP - AB-INITIO ELECTROSTATIC MOLECULAR POTENTIALS [J].
BONACCORSI, R ;
TOMASI, J ;
SCROCCO, E ;
PULLMAN, A .
CHEMICAL PHYSICS LETTERS, 1972, 12 (04) :622-+
[3]   MICROWAVE SPECTRUM AND MOLECULAR STRUCTURE OF FORMAMIDE [J].
COSTAIN, CC ;
DOWLING, JM .
JOURNAL OF CHEMICAL PHYSICS, 1960, 32 (01) :158-165
[4]   CARBONIUM IONS .17. DIRECT OBSERVATION OF SATURATED + UNSATURATED ACYL CATIONS + THEIR EQUILIBRIA WITH PROTONATED ACIDS [J].
DENO, NC ;
PITTMAN, CU ;
WISOTSKY, MJ .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1964, 86 (20) :4370-&
[5]   AMIDE HYDROLYSIS IN VERY STRONG ACIDS .2. RATE MEASUREMENTS IN VARIOUS MEDIA, AND A DISCUSSION OF THE MECHANISM [J].
DUFFY, JA ;
LEISTEN, JA .
JOURNAL OF THE CHEMICAL SOCIETY, 1960, (FEB) :853-859
[6]   A CORRELATION OF REACTION RATES [J].
HAMMOND, GS .
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1955, 77 (02) :334-338
[7]   ENERGETICS OF FORMATION OF SOME OXYGENATED IONS AND PROTON AFFINITIES OF CARBONYL COMPOUNDS [J].
HARRISON, AG ;
IVKO, A ;
VANRAALT.D .
CANADIAN JOURNAL OF CHEMISTRY, 1966, 44 (14) :1625-&
[8]   ROTATION-VIBRATION SPECTRA OF DIATOMIC AND SIMPLE POLYATOMIC MOLECULES WITH LONG ABSORBING PATHS .2. THE SPECTRUM OF CARBON MONOXIDE BELOW 1.2-MU [J].
HERZBERG, G ;
RAO, KN .
JOURNAL OF CHEMICAL PHYSICS, 1949, 17 (11) :1099-1102
[9]   AB-INITIO LCAO-MO-SCF CALCULATIONS ON FORMIC ACID, FORMATE ION, AND PROTONATED FORMIC ACID [J].
HOPKINSO.AC ;
YATES, K ;
CSIZMADI.IG .
JOURNAL OF CHEMICAL PHYSICS, 1970, 52 (04) :1784-&
[10]   THEORETICAL STUDY OF SITE OF PROTONATION OF FORMAMIDE USING NON-EMPIRICAL LCAO-MO-SCF CALCULATIONS [J].
HOPKINSO.AC ;
CSIZMADI.IG .
CANADIAN JOURNAL OF CHEMISTRY-REVUE CANADIENNE DE CHIMIE, 1973, 51 (09) :1432-1434