ON THE ROLE OF ION DIPOLE COMPLEXES IN THE ISOMERIZATION DISSOCIATION REACTIONS OF IONIZED ACETIC-ACID AND ITS ENOL IN THE GAS-PHASE - AN ABINITIO MOLECULAR-ORBITAL STUDY

被引：29

作者：

HEINRICH, N ^{[1
]}

SCHWARZ, H ^{[1
]}

机构：

[1] TECH UNIV BERLIN, INST UROL, D-1000 BERLIN 12, FED REP GER

来源：

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY | 1987年 / 79卷 / 03期

关键词：

D O I：

10.1016/0168-1176(87)83007-0

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

引用

页码：295 / 310

页数：16

共 32 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] MOLLER-PLESSET THEORY FOR ATOMIC GROUND-STATE ENERGIES [J].

BINKLEY, JS ;

POPLE, JA .

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, 1975, 9 (02) :229-236

[4] THE GAS-PHASE ION CHEMISTRY OF THE ACETYL CATION AND ISOMERIC [C2H3O]+ IONS - ON THE STRUCTURE OF THE [C2H3O]+ DAUGHTER IONS GENERATED FROM THE ENOL OF ACETONE RADICAL CATION [J].

BURGERS, PC ;

HOLMES, JL ;

SZULEJKO, JE ;

MOMMERS, AA ;

TERLOUW, JK .

ORGANIC MASS SPECTROMETRY, 1983, 18 (06) :254-262

[5] MASS-SPECTROMETRIC INVESTIGATION OF NITROGEN-COMPOUNDS .41. ON THE GAS-PHASE CHEMISTRY OF IONIZED GLYCINE AND ITS ENOL - A COMBINED EXPERIMENTAL AND ABINITIO MOLECULAR-ORBITAL STUDY [J].

DEPKE, G ;

HEINRICH, N ;

SCHWARZ, H .

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 62 (01) :99-117

[6] MASS-SPECTROMETRIC INVESTIGATION OF NITROGEN-COMPOUNDS .42. METASTABLE RADICAL CATIONS OF GLYCINE METHYL-ESTER AND ITS ENOL TAUTOMER [J].

DEPKE, G ;

HEINRICH, N ;

SCHWARZ, H .

INTERNATIONAL JOURNAL OF MASS SPECTROMETRY AND ION PROCESSES, 1984, 62 (01) :119-123

[7] GENERATION OF THE DISTONIC ION CH2NH3.+ - NUCLEOPHILIC-SUBSTITUTION OF THE KETENE CATION RADICAL BY AMMONIA AND UNIMOLECULAR DECARBONYLATION OF IONIZED ACETAMIDE [J].

DREWELLO, T ;

HEINRICH, N ;

MAAS, WPM ;

NIBBERING, NMM ;

WEISKE, T ;

SCHWARZ, H .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1987, 109 (16) :4810-4818

[8] ORBITAL SYMMETRY-CONSERVATION AND FRONTIER ORBITAL CONTROL IN THE REACTIONS OF ORGANIC RADICAL CATION [J].

DUNKIN, IR ;

ANDREWS, L .

TETRAHEDRON, 1985, 41 (01) :145-161

[9] 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

[10] MINDO/3 AND MNDO CALCULATIONS OF CLOSED-SHELL AND OPEN-SHELL CATIONS CONTAINING C, H, N, AND O [J].

HALIM, H ;

HEINRICH, N ;

KOCH, W ;

SCHMIDT, J ;

FRENKING, G .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1986, 7 (02) :93-104

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