Title
Orientational diffusion of methyl groups in crystalline <tex>$CH_{3}F:$</tex> an infrared study Orientational diffusion of methyl groups in crystalline <tex>$CH_{3}F:$</tex> an infrared study
Author
Faculty/Department
Faculty of Sciences. Chemistry
Publication type
article
Publication
Washington, D.C. ,
Subject
Chemistry
Source (journal)
The journal of physical chemistry : A : molecules, spectroscopy, kinetics, environment and general theory. - Washington, D.C., 1997, currens
The journal of physical chemistry : B : materials, surfaces, interfaces and biophysical. - Washington, D.C., 1997, currens
Volume/pages
102(1998) , p. 6493-6498
ISSN
1089-5639
1520-5215
ISI
000075786400009
Carrier
E
Target language
English (eng)
Full text (Publishers DOI)
Affiliation
University of Antwerp
Abstract
The mid-infrared (4000-400 cm(-1)) spectra of polycrystalline methyl fluoride have been investigated at temperatures between 8 and 85 K. Least-squares band fitting was performed for all fundamental bands belonging to symmetric and asymmetric vibrations of the methyl group, and the contributions of inhomogeneous broadening and vibrational and orientational relaxation to the bandwidths have been evaluated. From the temperature dependence of the bandwidths, using the modified Rakov approach, the activation enthalpy, Delta H*, and activation entropy, Delta S*, for orientational diffusion of the methyl groups have been determined to be Delta H* = 0.85(7) kJ mol(-1) and Delta S* = -7(1) J mol(-1) K-1.
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