NDLI: Computation of heat capacities of solid state benzene,p-oligophenylenes and poly-p-phenylene

Content Provider	Springer Nature Link
Author	Pyda, M. Wunderlich, B.
Copyright Year	1997
Abstract	Heat capacities (C$_{p}$) of solid benzene, biphenyl,p-terphenyl,p-quaterphenyl, and poly-p-phenylene were analyzed using the ATHAS Scheme of computation. The calculated heat capacities based on approximate vibrational spectra of solid benzene and the series of oligomers containing additional phenylene groups were compared to experimental data newly measured and from the literature to identify possible additional large-amplitude motion. The skeletal heat capacity was fitted to the Tarasov equation to obtain the one- and three-dimensional vibration frequencies Θ$_{1}$ and Θ$_{3}$ using a new optimization approach. Their relationship to the number of phenylene groupsn is: Θ$_{1}$=426.0−150.3/n; and Θ$_{3}$=55.4+81.8/n. Except for benzene, the quantitative thermal analyses do not show significant contributions from large-amplitude motion below the melting temperatures.
Starting Page	685
Ending Page	692
Page Count	8
File Format	PDF
ISSN	00225215
Journal	Journal of thermal analysis
Volume Number	49
Issue Number	2
e-ISSN	15728943
Language	English
Publisher	Kluwer Academic Publishers
Publisher Date	1997-01-01
Publisher Place	Dordrecht
Access Restriction	One Nation One Subscription (ONOS)
Subject Keyword	benzene biphenyl heat capacity poly-p-phenylene p-quaterphenyl p-terphenyl Physical Chemistry Analytical Chemistry Polymer Sciences Inorganic Chemistry Measurement Science and Instrumentation
Content Type	Text
Resource Type	Article

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