A theoretical study of the inclusion complexes of β-quinol

Liem X. Dang; B. Montgomery Pettitt

doi:10.1063/1.455166

A theoretical study of the inclusion complexes of β-quinol

Liem X. Dang, B. Montgomery Pettitt

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8 Scopus citations

Abstract

The thermodynamics and dynamics of clathrate inclusion complexes of β-quinol with rare gas atoms are considered and compared to previous experimental results. Many of the thermodynamic properties are found to be explainable within a harmonic approximation if one considers the flexibility of the host lattice. Dynamic simulations indicate a splitting of the low frequency motions caused by the local anisotropy of the β-quinol clathrate.

Original language	English (US)
Pages (from-to)	968-974
Number of pages	7
Journal	The Journal of chemical physics
Volume	89
Issue number	2
DOIs	https://doi.org/10.1063/1.455166
State	Published - 1988
Externally published	Yes

ASJC Scopus subject areas

General Physics and Astronomy
Physical and Theoretical Chemistry

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10.1063/1.455166

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title = "A theoretical study of the inclusion complexes of β-quinol",

abstract = "The thermodynamics and dynamics of clathrate inclusion complexes of β-quinol with rare gas atoms are considered and compared to previous experimental results. Many of the thermodynamic properties are found to be explainable within a harmonic approximation if one considers the flexibility of the host lattice. Dynamic simulations indicate a splitting of the low frequency motions caused by the local anisotropy of the β-quinol clathrate.",

author = "Dang, {Liem X.} and Pettitt, {B. Montgomery}",

year = "1988",

doi = "10.1063/1.455166",

language = "English (US)",

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pages = "968--974",

journal = "The Journal of chemical physics",

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publisher = "American Institute of Physics Publising LLC",

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AU - Dang, Liem X.

AU - Pettitt, B. Montgomery

PY - 1988

Y1 - 1988

N2 - The thermodynamics and dynamics of clathrate inclusion complexes of β-quinol with rare gas atoms are considered and compared to previous experimental results. Many of the thermodynamic properties are found to be explainable within a harmonic approximation if one considers the flexibility of the host lattice. Dynamic simulations indicate a splitting of the low frequency motions caused by the local anisotropy of the β-quinol clathrate.

AB - The thermodynamics and dynamics of clathrate inclusion complexes of β-quinol with rare gas atoms are considered and compared to previous experimental results. Many of the thermodynamic properties are found to be explainable within a harmonic approximation if one considers the flexibility of the host lattice. Dynamic simulations indicate a splitting of the low frequency motions caused by the local anisotropy of the β-quinol clathrate.

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U2 - 10.1063/1.455166

DO - 10.1063/1.455166

M3 - Article

AN - SCOPUS:33748857410

SN - 0021-9606

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EP - 974

JO - The Journal of chemical physics

JF - The Journal of chemical physics

IS - 2

ER -

A theoretical study of the inclusion complexes of β-quinol

Abstract

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