ROTATIONAL TUNNELING OF CD3 GROUPS IN THE HYDROQUINONE METHANOL CLATHRATE - SINGLE-CRYSTAL AND POWDER DEUTERIUM NMR-SPECTRA

被引：25

作者：

BERNHARD, T

HAEBERLEN, U

机构：

[1] Max-planck-Institut für Medizinische Forchung, W-6900 Heidelberg

来源：

CHEMICAL PHYSICS LETTERS | 1991年 / 186卷 / 2-3期

关键词：

D O I：

10.1016/S0009-2614(91)85147-O

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 single-crystal and powder H-2 NMR spectra of the hydroquinone/CD3OH clathrate recorded at T < 13 K reveal features characteristic of rotational tunneling of the CD3 groups. The ground-state tunnel splitting nu-t is larger than 2 MHz. Satisfactory agreement between simulated and recorded spectra is obtained if the angle between the C3 axis of the CD3 group and the C-D bond directions is taken to be 2-degrees larger than the tetrahedral angle. The line intensities in the single-crystal spectra show an oscillatory dependence on the pulse separation of the quadrupolar echo sequence.

引用

页码：307 / 312

页数：6