Reorientation of thiophene molecules in a benzene lattice

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DOIResolve DOI: http://doi.org/10.1139/v78-117
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TypeArticle
Journal titleCanadian Journal of Chemistry
ISSN0008-4042
Volume56
Issue5
Pages714716; # of pages: 3
AbstractBenzene and thiophene are known to form solid solutions over the entire composition range; the present work demonstrates the orientational freedom of thiophene molecules in solid solution with excess perdeuterobenzene, through measurements of spin–lattice relaxation times. In addition, the atom–atom approximation to intermolecular forces yielded a potential energy profile for in-plane rotation of a thiophene molecule, embedded in a benzene lattice, which is consistent with the experimental activation energy for the relaxation. The second moment of the absorption signal for thiophene in perdeuterobenzene at 80 K was determined to be 0.66 G2, compared with a value of 0.42 G2 computed as the intramolecular contribution only for in-plane rotation.
Publication date
LanguageEnglish
AffiliationNational Research Council Canada
Peer reviewedYes
NRC number16430
NPARC number21276141
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Record identifier98224da7-d5b0-429d-9ded-96221e10efb8
Record created2015-09-28
Record modified2016-05-09
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