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

文献情報

出版日 2002-01-30

DOI 10.1039/B110091B

インパクトファクター 3.676

著者

John Tomkinson, Stewart F. Parker, Dale A. Braden, Bruce S. Hudson

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要旨

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.

掲載誌

Physical Chemistry Chemical Physics

CiteScore: 5.5

自己引用率: 10.3%

年間論文数: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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

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Physical Chemistry Chemical Physics

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