UNIMOLECULAR REACTIONS OF THE ENOLIC TAUTOMER OF IONIZED ACETIC-ACID IN THE GAS-PHASE - AN ABINITIO AND RRKM STUDY

被引：6

作者：

CABALLOL, R

POBLET, JM

SARASA, JP

OLIVELLA, S

SOLE, A

机构：

[1] INST ESTUDIOS CATALANS, QUIM QUANT GRP, E-43005 TARRAGONA, SPAIN

[2] UNIV BARCELONA, FAC QUIM, DEPT QUIM ORGAN, E-08028 BARCELONA, SPAIN

[3] UNIV BARCELONA, FAC QUIM, DEPT QUIM FIS, E-08028 BARCELONA, SPAIN

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1988年 / 92卷 / 12期

关键词：

D O I：

10.1021/j100323a007

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

页码：3336 / 3341

页数：6

共 40 条

[1] MECHANISM OF KETO-REVERSIBLE-ENOL TAUTOMERISM OF IONIZED VINYL ALCOHOL VERSUS ACETALDEHYDE AND THEIR DISSOCIATION TO C2H3O+ AND H. - AN ABINITIO MOLECULAR-ORBITAL STUDY [J].

APELOIG, Y ;

KARNI, M ;

CIOMMER, B ;

DEPKE, G ;

FRENKING, G ;

MEYN, S ;

SCHMIDT, J ;

SCHWARZ, H .

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY, 1984, 59 (01) :21-37

[2] SELF-CONSISTENT MOLECULAR-ORBITAL METHODS .21. SMALL SPLIT-VALENCE BASIS-SETS FOR 1ST-ROW ELEMENTS [J].

BINKLEY, JS ;

POPLE, JA ;

HEHRE, WJ .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1980, 102 (03) :939-947

[3] THEORETICAL-ANALYSIS OF THE ISOMERIZATIONS AND FRAGMENTATIONS OF THE C3H6O2+. RADICAL CATION [J].

CABALLOL, R ;

IGUAL, J ;

POBLET, JM ;

SARASA, JP .

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1986, 71 (01) :75-84

[4] PHENOL CATION DISSOCIATION - THEORETICAL-STUDY OF THE POTENTIAL SURFACE AND RRKM-STATISTICAL ANALYSIS [J].

CABALLOL, R ;

POBLET, JM ;

SARASA, JP .

JOURNAL OF PHYSICAL CHEMISTRY, 1985, 89 (26) :5836-5840

[5]

DERRICK PJ, 1983, COMPREHENSIVE CHEM K, P83

[6]

Frost W., 1973, THEORY UNIMOLECULAR

[7] DECOMPOSITIONS OF THE METASTABLE [CH2C(OH)2]+-ION - TEST OF THE APPLICABILITY OF THE ENERGY RANDOMIZATION HYPOTHESIS TO UNIMOLECULAR FRAGMENTATIONS [J].

GRIFFIN, LL ;

MCADOO, DJ .

JOURNAL OF PHYSICAL CHEMISTRY, 1979, 83 (09) :1142-1144

[8] MOLLER-PLESSET STUDY OF THE H4CO POTENTIAL-ENERGY SURFACE [J].

HARDING, LB ;

SCHLEGEL, HB ;

KRISHNAN, R ;

POPLE, JA .

JOURNAL OF PHYSICAL CHEMISTRY, 1980, 84 (25) :3394-3401

[9] INFLUENCE OF POLARIZATION FUNCTIONS ON MOLECULAR-ORBITAL HYDROGENATION ENERGIES [J].

HARIHARA.PC ;

POPLE, JA .

THEORETICA CHIMICA ACTA, 1973, 28 (03) :213-222

[10] STUDIES ON RADICAL CATIONS .2. PRINCIPLES INVOLVED IN THEIR ELECTROCYCLIC REACTIONS [J].

HASELBACH, E ;

BALLY, T ;

LANYIOVA, Z .

HELVETICA CHIMICA ACTA, 1979, 62 (02) :577-582

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