ROTATIONAL BARRIERS OF VINYL-SUBSTITUTED OLEFINS

被引：42

作者：

DOERING, WV ^{[1
]}

ROTH, WR ^{[1
]}

BAUER, F ^{[1
]}

BOENKE, M ^{[1
]}

BREUCKMANN, R ^{[1
]}

RUHKAMP, J ^{[1
]}

WORTMANN, O ^{[1
]}

机构：

[1] RUHR UNIV BOCHUM,FAK CHEM,W-4630 BOCHUM 1,GERMANY

来源：

CHEMISCHE BERICHTE | 1991年 / 124卷 / 06期

关键词：

ALLYL STABILIZATION ENERGY; CALCULATIONS; FORCE FIELD; ROTATIONAL BARRIER; INTRINSIC; GAS-PHASE KINETICS;

D O I：

10.1002/cber.19911240622

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

For the vinyl-substituted olefines 1-14 activation parameters for the geometrical isomerisation have been determined in the gas-phase. By comparison of these barriers with the corresponding ones of the isolated double bonds, each corrected by the contribution of the steric energy to the ground and transition state, a value of 13.5 +/- 1.1 kcal mol-1 for the allyl stabilisation energy (ASE), defined as replacement of alkyl by vinyl, has been derived.

引用

页码：1461 / 1470

页数：10

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