THEORETICAL INVESTIGATION OF THE EPR-SPECTRUM OF THE CYCLOPROPYL RADICAL

被引：27

作者：

BARONE, V

MINICHINO, C

FAUCHER, H

SUBRA, R

GRAND, A

机构：

[1] UNIV BASILICATA,DIPARTIMENTO CHIM,I-85100 POTENZA,ITALY

[2] UNIV JOSEPH FOURIER,ETUD DYNAM & STRUCT SELECTIVITE LAB,F-38041 GRENOBLE,FRANCE

[3] CEN,DRFMC,SERV ETUD SYST & ARCHITECTURES MOLEC,F-38041 GRENOBLE,FRANCE

来源：

CHEMICAL PHYSICS LETTERS | 1993年 / 205卷 / 2-3期

关键词：

D O I：

10.1016/0009-2614(93)89250-L

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：

A general quantum-mechanical protocol recently introduced for the theoretical study of non-rigid radicals has been used in the investigation of the structure, inversion rate, and EPR spectrum of the cyclopropyl radical. The results are in close agreement with experiment and can be interpreted in terms of the interplay between the variation of the potential energy and the different properties along the inversion coordinate.

引用

页码：324 / 330

页数：7

共 40 条

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