AN ABINITIO THEORETICAL REACTION-PATH STUDY OF THE CATION RADICAL DIELS-ALDER REACTION

被引：34

作者：

BAULD, NL

机构：

[1] Department of Chemistry, University of Texas, Austin

来源：

JOURNAL OF THE AMERICAN CHEMICAL SOCIETY | 1992年 / 114卷 / 14期

关键词：

D O I：

10.1021/ja00040a048

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

The theoretical reaction path for the Diels-Alder reaction of the s-cis-1,3-butadiene cation radical with ethene, yielding the cyclohexene cation radical, has been studied at the MP3/6-31G*//3-21G level. The results suggest a concerted, non-synchronous, activationless cycloaddition in the gas phase.

引用

页码：5800 / 5804

页数：5

共 17 条

[1] CATION RADICAL PERICYCLIC-REACTIONS
BAULD, NL
BELLVILLE, DJ
HARIRCHIAN, B
LORENZ, KT
PABON, RA
REYNOLDS, DW
WIRTH, DD
CHIOU, HS
MARSH, BK
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[2] CATION RADICAL CYCLO-ADDITIONS AND RELATED SIGMATROPIC REACTIONS
BAULD, NL
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[3] THEORY OF CATION-RADICAL PERICYCLIC-REACTIONS
BAULD, NL
BELLVILLE, DJ
PABON, R
CHELSKY, R
GREEN, G
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (08) : 2378 - 2382
[4] BAULD NL, 1984, J AM CHEM SOC, V106, P1145
[5] A NON-ELECTROCYCLIC PATH FROM THE CYCLOBUTENE CATION RADICAL TO THE 1,3-BUTADIENE CATION RADICAL
BELLVILLE, DJ
CHELSKY, R
BAULD, NL
[J]. JOURNAL OF COMPUTATIONAL CHEMISTRY, 1982, 3 (04) : 548 - 551
[6] THEORETICAL-ANALYSIS OF SELECTIVITY IN THE CATION-RADICAL DIELS-ALDER
BELLVILLE, DJ
BAULD, NL
PABON, R
GARDNER, SA
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1983, 105 (11) : 3584 - 3588
[7] THE CATION-RADICAL CATALYZED DIELS-ALDER REACTION
BELLVILLE, DJ
WIRTH, DD
BAULD, NL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1981, 103 (03) : 718 - 720
[8] THEORETICAL REACTION PATHS FOR CATION RADICAL CYCLOADDITIONS - THE [3+2] OR ROLE-REVERSED CATION RADICAL DIELS-ALDER
BELLVILLE, DJ
BAULD, NL
[J]. TETRAHEDRON, 1986, 42 (22) : 6167 - 6173
[9] SELECTIVITY PROFILE OF THE CATION RADICAL DIELS-ALDER REACTION
BELLVILLE, DJ
BAULD, NL
[J]. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 1982, 104 (09) : 2665 - 2667
[10] BOUMA WJ, 1982, J MOL STRUCT, V12, P209

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