SEMIEMPIRICAL CALCULATIONS OF CARBENES WITH AROMATIC SUBSTITUENTS - A COMPARISON OF THEORY WITH EXPERIMENT

被引：16

作者：

LI, YZ ^{[1
]}

SCHUSTER, GB ^{[1
]}

机构：

[1] UNIV ILLINOIS,DEPT CHEM,ROGER ADAMS LAB,URBANA,IL 61801

来源：

JOURNAL OF ORGANIC CHEMISTRY | 1988年 / 53卷 / 06期

关键词：

D O I：

10.1021/jo00241a027

中图分类号：

O62 [有机化学];

学科分类号：

070303 ; 081704 ;

摘要：

引用

页码：1273 / 1277

页数：5

共 29 条

[1] MECHANISTIC INVESTIGATIONS OF THE CYCLOADDITION REACTIONS OF THIOXANTHENYLIDENE S,S-DIOXIDE [J].

ABDELWAHAB, AA ;

DOSS, SH ;

DURR, H ;

TURRO, NJ ;

GOULD, IR .

JOURNAL OF ORGANIC CHEMISTRY, 1987, 52 (03) :429-434

[2] GROUND-STATES OF MOLECULES .25. MINDO-3 - IMPROVED VERSION OF MINDO SEMIEMPIRICAL SCF-MO METHOD [J].

BINGHAM, RC ;

DEWAR, MJS ;

LO, DH .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1975, 97 (06) :1285-1293

[3] GROUND-STATES OF MOLECULES .19. CARBENE AND ITS REACTIONS [J].

BODOR, N ;

WASSON, JS ;

DEWAR, MJS .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1972, 94 (26) :9095-9102

[4]

BRANDON RW, 1965, J CHEM PHYS, V45, P2006

[5]

CLARK T, 1985, HDB COMPUTATIONAL CH, pCH4

[6] KINETIC STUDIES ON DIARYLCARBENES [J].

CLOSS, GL ;

RABINOW, BE .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1976, 98 (25) :8190-8198

[7] THE DEVELOPMENT AND USE OF QUANTUM MOLECULAR-MODELS .75. COMPARATIVE TESTS OF THEORETICAL PROCEDURES FOR STUDYING CHEMICAL-REACTIONS [J].

DEWAR, MJS ;

STORCH, DM .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1985, 107 (13) :3898-3902

[8] GROUND-STATES OF MOLECULES .38. MNDO METHOD - APPROXIMATIONS AND PARAMETERS [J].

DEWAR, MJS ;

THIEL, W .

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1977, 99 (15) :4899-4907

[9] CALCULATION OF ENERGIES OF EXCITED-STATES USING MNDO [J].

DEWAR, MJS ;

FOX, MA ;

CAMPBELL, KA ;

CHEN, CC ;

FRIEDHEIM, JE ;

HOLLOWAY, MK ;

KIM, SC ;

LIESCHESKI, PB ;

PAKIARI, AM ;

TIEN, TP ;

ZOEBISCH, EG .

JOURNAL OF COMPUTATIONAL CHEMISTRY, 1984, 5 (05) :480-485

[10]

DURR H, 1980, J ORG CHEM, V45, P973

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