Issue 5, 2002
From the journal:

Physical Chemistry Chemical Physics

Inelastic neutron scattering spectra of the transverse acoustic modes of the normal alkanes

John Tomkinson,*a   Stewart F. Parker,a   Dale A. Braden†b  and  Bruce S. Hudsonc  

* Corresponding authors

a ISIS Facility, Chilton, UK
E-mail: j.tomkinson@rl.ac.uk

b Department of Chemistry, Eugene, USA

c Department of Chemistry, Syracuse, USA

Abstract

The inelastic neutron scattering spectra of the n-alkanes, obtained at ca. 25 K, have been examined in the frequency region below 260 cm−1. Assignments of the transverse acoustic modes (TAMs) of pentane to dodecane out to wavevectors, κ, of about 0.6 are presented. These emerge from a general scheme, which is broadly applicable to all alkanes but inconsistent with single molecule ab initio calculations (because of the mode mixing introduced by the presence of external forces). The external vibrational spectra of the n-alkanes were reported for the first time and shown to have an n-even, n-odd, dependence, in agreement with the variations reported for their crystal structures. However, the demonstration of a similar n-even, n-odd, alternation in the methyl torsion frequencies must be understood in terms of the internal, and not the external, forces.

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Article information

DOI
https://doi.org/10.1039/B110091B
Article type
Paper
Submitted
06 Nov 2001
Accepted
14 Dec 2001
First published
30 Jan 2002

Phys. Chem. Chem. Phys., 2002,4, 716-721

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Inelastic neutron scattering spectra of the transverse acoustic modes of the normal alkanes

J. Tomkinson, S. F. Parker, D. A. Braden and B. S. Hudson, Phys. Chem. Chem. Phys., 2002, 4, 716 DOI: 10.1039/B110091B

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