Quantum dynamics of coupled translational and rotational motions of H2 inside C60

被引：71

作者：

Xu, Minzhong ^{[1
]}

Sebastianelli, Francesco ^{[1
]}

Bacic, Zlatko ^{[1
]}

Lawler, Ronald ^{[2
]}

Turro, Nicholas J. ^{[3
]}

机构：

[1] NYU, Dept Chem, New York, NY 10003 USA

[2] Brown Univ, Dept Chem, Providence, RI 02912 USA

[3] Columbia Univ, Dept Chem, New York, NY 10027 USA

来源：

JOURNAL OF CHEMICAL PHYSICS | 2008年 / 128卷 / 01期

基金：

美国国家科学基金会;

关键词：

D O I：

10.1063/1.2828556

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：

We report rigorous quantum calculations of the translation-rotation (T-R) eigenstates of the H-2 molecule in C-60. The resulting level structure can be explained in terms of a few dominant features. These include the coupling between the orbital and the rotational angular momenta of H-2 to give the total angular momentum lambda, and the splitting of the sevenfold degeneracy of T-R levels with lambda=3 by the nonsphericity of C-60, according to the rules of the icosahedral I-h group. (c) 2008 American Institute of Physics.

引用

页数：4

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