ENERGY COMPONENT ANALYSIS OF THE PSEUDO JAHN-TELLER EFFECT IN PENTALENE AND HEPTALENE

被引：11
|
作者：
TOYOTA, A
KATAOKA, M
KOSEKI, S
机构：
[1] TOHOKU COLL PHARMACEUT SCI, SENDAI 981, JAPAN
[2] NEC SCI INFORMAT SYST DEV LTD, TSUKUBA 305, JAPAN
来源：
CHEMISTRY LETTERS | 1992年 / 05期
关键词：
D O I：
10.1246/cl.1992.791
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
An energy component analysis of the pseudo Jahn-Teller effect from D2h to C2h within the PPP-type HF approximation reveals that the energetic stability for heptalene arises essentially from a lowering of the electron-nuclear attraction energy, while that for pentalene arises entirely from a decrease in the interelectronic repulsion energy.
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页码：791 / 794
页数：4
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