The dynamics of molecular reorientation in the disordered phase of bicyclo(2.2.2)octane

A. J. Leadbetter*, J. Piper, R. M. Richardson, P. G. Wrighton

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

6 Citations (Scopus)

Abstract

X-ray powder diffraction measurements have been made on both ordered and disordered phases of bicyclo-octane. It is concluded that the structure of the ordered phase is hexagonal, in agreement with earlier work. The high-temperature disordered phase is known to be face-centred cubic. Incoherent neutron quasi-elastic scattering measurements have been made throughout the disordered phase. These have been successfully analysed to show that the dominant motions are uniaxial rotations about the unique molecular axes (adequately described as C6 rotations) plus C4 rotations by which the unique molecular axes can reorient along the eight different diagonals (111) of the cubic cell. The correlation times are described by: tau 6 -1/s-1=(1.1+or-0.3)*1012 exp((-5.3-or+0.5)kJ mol-1/RT) tau 4-1/s -1=(3.7+or-1.5)*1011 exp((7.6-or+1.5)kJ mol -1/RT).

Original languageEnglish
Article number004
Pages (from-to)5921-5936
Number of pages16
JournalJournal of Physics C: Solid State Physics
Volume15
Issue number29
DOIs
Publication statusPublished - 1 Dec 1982

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