Tunnelling of the one-dimensional rotor NH3D+ in the NH4ClO4 and NH4PF6 lattices

被引：13

作者：

Buttner, HG

Kearley, GJ

Frick, B

机构：

[1] Institut Laue-Langevin, F-38042 Grenoble Cedex 9

来源：

CHEMICAL PHYSICS | 1997年 / 214卷 / 2-3期

关键词：

D O I：

10.1016/S0301-0104(96)00298-4

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：

Inelastic neutron scattering (INS) spectra of partially deuterated NH4PF6 and NH4ClO4 were measured to investigate the tunnelling of the rotor NH3D+ in environments of low symmetry. Rotational tunnelling of NH3D+ appears clearly as a single peak at about the same energy as the T-E transitions in the fully protonated crystals. The presence of a single peak indicates that the D atom is localized, and tunnelling is strictly 1-dimensional about the N-D bond direction. There is no evidence for tunnelling of NH2D2+.

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页码：425 / 429

页数：5

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