THEORETICAL-STUDY OF LITHIUM CATION INTERACTIONS WITH HYDROCARBON RADICALS

被引：10

作者：

BENTLEY, J

机构：

[1] Radiation Laboratory, University of Notre Dame, Notre Dame

来源：

CHEMICAL PHYSICS LETTERS | 1992年 / 200卷 / 05期

关键词：

D O I：

10.1016/0009-2614(92)80084-O

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 nature of the interaction between lithium cations and hydrocarbon free radicals has been examined by electronic structure calculations at the HF/6-31G** and MP2/6-31G** levels. Bonding in the radical cation systems CH3Li+, C2H5Li+, 2-C3H7Li+, C2H3Li+, and C3H5Li+ closely resembles that between lithium cations and closed-shell molecules.

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页码：518 / 523

页数：6

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