Rotational spectra for off-center endohedral atoms at C-60 fullerene

被引：30

作者：

HernandezRojas, J

Breton, J

Llorente, JMG

机构：

[1] Departamento de Física Fundamental y Experimental, Universidad de la Laguna

来源：

JOURNAL OF CHEMICAL PHYSICS | 1996年 / 104卷 / 04期

关键词：

D O I：

10.1063/1.470778

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：

Rotational spectra for endohedral Li+@(60) and Na+C60 are calculated at different temperatures. Most of the features in these spectra are related with the degree of anisotropy in the atom-cage interaction. While the low anisotropy for Na+@C-60 results in rather simple spectra with the 2B oscillation typical of a diatomic molecule, the more eccentric and anisotropic Li+@C-60 produces complex spectra with rotational and librational bands. Some interesting effects are induced by the cage rotation, which has been incorporated through a semiclassical formalism. (C) 1996 American Institute of Physics.

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页码：1179 / 1186

页数：8

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