Structure and Dynamics of Hydrogen Molecules in the Novel Clathrate Hydrate by High Pressure Neutron Diffraction

Konstantin A. Lokshin, Yusheng Zhao, Duanwei He, Wendy L. Mao, Ho-Kwang Mao, Russell J. Hemley, Maxim V. Lobanov, and Martha Greenblatt
Phys. Rev. Lett. 93, 125503 – Published 14 September 2004

Abstract

The D2 clathrate hydrate crystal structure was determined as a function of temperature and pressure by neutron diffraction for the first time. The hydrogen occupancy in the (32+X)H2·136H2O, x=016 clathrate can be reversibly varied by changing the large (hexakaidecahedral) cage occupancy between two and four molecules, while remaining single occupancy of the small (dodecahedral) cage. Above 130–160 K, the guest D2 molecules were found in the delocalized state, rotating around the centers of the cages. Decrease of temperature results in rotation freezing followed by a complete localization below 50 K.

  • Figure
  • Figure
  • Figure
  • Figure
  • Figure
  • Received 17 February 2004

DOI:https://doi.org/10.1103/PhysRevLett.93.125503

©2004 American Physical Society

Authors & Affiliations

Konstantin A. Lokshin1,*, Yusheng Zhao1, Duanwei He1, Wendy L. Mao2,3, Ho-Kwang Mao2, Russell J. Hemley2, Maxim V. Lobanov4, and Martha Greenblatt4

  • 1LANSCE-12, Los Alamos National Laboratory, Los Alamos, New Mexico 87544, USA
  • 2Geophysical Laboratory, Carnegie Institution of Washington, Washington, D.C. 20015, USA
  • 3Department of the Geophysical Sciences, University of Chicago, Chicago, Illinois 60637, USA
  • 4Department of Chemistry and Chemical Biology, Rutgers University, Piscataway, New Jersey 08854, USA

  • *Correspondence and requests for materials should be addressed to K. L. (e-mail: lokshin@lanl.gov).

Article Text (Subscription Required)

Click to Expand

References (Subscription Required)

Click to Expand
Issue

Vol. 93, Iss. 12 — 17 September 2004

Reuse & Permissions
Access Options
Author publication services for translation and copyediting assistance advertisement

Authorization Required


×
×

Images

×

Sign up to receive regular email alerts from Physical Review Letters

Log In

Cancel
×

Search


Article Lookup

Paste a citation or DOI

Enter a citation
×