Fullerene anions: Jahn-Teller or pseudo-Jahn-Teller effects?

被引：11

作者：

Borshch, SA

Prassides, K

机构：

[1] ECOLE NORMALE SUPER LYON,CHIM THEOR LAB,F-69364 LYON 07,FRANCE

[2] UNIV SUSSEX,SCH CHEM & MOLEC SCI,BRIGHTON BN1 9QJ,E SUSSEX,ENGLAND

来源：

JOURNAL OF PHYSICAL CHEMISTRY | 1996年 / 100卷 / 22期

关键词：

D O I：

10.1021/jp960015c

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 vibronic problems appearing in manifolds of the electronic terms of C-60 anions are studied. It is shown that the vibronic coupling of the T-1u molecular orbital with the h(g) vibrations induces pseudo-Jahn-Teller and Jahn-Teller couplings within the electronic terms. The resulting vibronic distortions are determined by the interplay of interelectronic and vibronic interactions. In certain cases the vibronic interaction of excited electronic terms can change the spin multiplicity of the ground state.

引用

页码：9348 / 9351

页数：4

共 38 条

[1]

[Anonymous], 1960, QUANTUM THEORY ATOMI

[2] PHONONS, ELECTRON-PHONON, AND ELECTRON-PLASMON COUPLING IN C-60 COMPOUNDS [J].