Papers

Peer-reviewed Lead author Corresponding author
Nov, 2016

Structure of a molecular liquid GeI4

JOURNAL OF PHYSICS-CONDENSED MATTER
  • Kazuhiro Fuchizaki
  • ,
  • Takahiro Sakagami
  • ,
  • Shinji Kohara
  • ,
  • Akitoshi Mizuno
  • ,
  • Yuta Asano
  • ,
  • Nozomu Hamaya

Volume
28
Number
44
Language
English
Publishing type
Research paper (scientific journal)
DOI
10.1088/0953-8984/28/44/445101
Publisher
IOP PUBLISHING LTD

A molecular liquid GeI4 is a candidate that undergoes a pressure-induced liquid-to-liquid phase transition. This study establishes the reference structure of the low-pressure liquid phase. Synchrotron x-ray diffraction measurements were carried out at several temperatures between the melting and the boiling points under ambient pressure. The molecule has regular tetrahedral symmetry, and the intramolecular Ge-I length of 2.51 angstrom is almost temperatureindependent within the measured range. A reverse Monte Carlo (RMC) analysis is employed to find that the distribution of molecular centers remains self-similar against heating, and thus justifying the length-scaling method adopted in determining the density. The RMC analysis also reveals that the vertex-to-face orientation of the nearest molecules are not straightly aligned, but are inclined at about 20 degrees, thereby making the closest intermolecular I-I distance definitely shorter than the intramolecular one. The prepeak observed at similar to 1 angstrom(-1) in the structural factor slightly shifts and increases in height with increasing temperature. The origin of the prepeak is clearly identified to be traces of the 111 diffraction peak in the crystalline state. The prepeak, assuming the residual spatial correlation between germanium sites in the densest direction, thus shifts toward lower wavenumbers with thermal expansion. The aspect that a relative reduction in molecular size associated with the volume expansion is responsible for the increase in the prepeak's height is confirmed by a simulation, in which the molecular size is changed.

Link information
DOI
https://doi.org/10.1088/0953-8984/28/44/445101
Web of Science
https://gateway.webofknowledge.com/gateway/Gateway.cgi?GWVersion=2&SrcAuth=JSTA_CEL&SrcApp=J_Gate_JST&DestLinkType=FullRecord&KeyUT=WOS:000397896400001&DestApp=WOS_CPL
ID information
  • DOI : 10.1088/0953-8984/28/44/445101
  • ISSN : 0953-8984
  • eISSN : 1361-648X
  • Web of Science ID : WOS:000397896400001

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