Ammonia tunnelling in Hofmann clathrates: Consistent description by internal and centre of mass quantum rotation

被引：14

作者：

Havighorst, M

Prager, M

机构：

[1] Inst. fur F. der KFA J.

来源：

CHEMICAL PHYSICS LETTERS | 1996年 / 250卷 / 02期

关键词：

D O I：

10.1016/0009-2614(96)00019-X

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 ammonia groups of the Ni-Ni-Bz(d(6)) Hofmann clathrate perform almost free tunnelling rotation in a high symmetry environment. We show that a coherent internal and centre of mass rotation describe the inelastic spectra perfectly. The parameters of the potential surface are consistent with usual strengths of intermolecular interactions. No arbitrary rescaling of the rotational constant as required by an analysis within the model of single particle rotation is necessary.

引用

页码：232 / 237

页数：6

共 9 条

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