A deuteron NMR study of the tetrahydrofuran clathrate hydrate - Part II: Coupling of rotational and translational dynamics of water

被引：44

作者：

Kirschgen, TM

Zeidler, MD

Geil, B

Fujara, F

机构：

[1] Rhein Westfal TH Aachen, Inst Phys Chem, D-52056 Aachen, Germany

[2] Tech Univ Darmstadt, Inst Festkorperphys, D-64289 Darmstadt, Germany

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2003年 / 5卷 / 23期

关键词：

D O I：

10.1039/b212472f

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：

In polycrystalline clathrate hydrate tetrahydrofuran-h(8).17D(2)O both Bjerrum defect dynamics and hydrogen translational diffusion has been identified by deuteron NMR stimulated echo experiments in combination with random walk simulations. By temperature dependent experiments the activation energies of the two processes have been determined as 24.6(3) kJ mol(-1) and 12.3(6) kJ mol(-1), respectively. The analysis of the "generalized intermediate structure factors" reveals that the elementary step of hydrogen diffusion is the exchange of a covalent bond among neighbouring oxygens.

引用

页码：5247 / 5252

页数：6

共 30 条

[1] Dynamic properties of the tetrahydrofuran clathrate hydrate, investigated by solid state 2H NMR spectroscopy [J].