EVALUATION OF Y-DELOCALIZATION VERSUS LINEAR-DELOCALIZATION AND THE ROLE OF CHARGE ALTERNATION IN TRIMETHYLENEMETHANE DIANION AND BUTADIENE DIANIONS - COMMENT

被引：7

作者：

FRENKING, G

GOBBI, A

机构：

[1] Fachbereich Chemie, Universität Marburg, W-3550 Marburg, Hans-Meerwein-Strasse

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 197卷 / 03期

关键词：

D O I：

10.1016/0009-2614(92)85779-A

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：

The conclusions on the relative stabilities of linear and Y-conjugated forms of the C4H62- dianion by Agranat, Radhakrishnan, Herndon, and Skancke are based on calculated structures which are higher-order saddle points and not minima on the potential energy hypersurface. The energy minimum conformations clearly show that the trimethylenemethane dianion is more stable than the linear forms because of a more favorable charge distribution.

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页码：335 / 337

页数：3

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