Authors:
M. Pyda Department of Chemistry, The University of Tennessee, 37996-1600 Knoxville, TN USA

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B. Wunderlich Chemistry and Analytical Sciences Division, Oak Ridge National Laboratory, 37831-6197 Oak Ridge, TN USA

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Abstract  

Heat capacities (Cp) 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 Θ1 and Θ3 using a new optimization approach. Their relationship to the number of phenylene groupsn is: Θ1=426.0−150.3/n; and Θ3=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.

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Journal of Thermal Analysis and Calorimetry
Language English
Size A4
Year of
Foundation
1969
Volumes
per Year
1
Issues
per Year
24
Founder Akadémiai Kiadó
Founder's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
Publisher Akadémiai Kiadó
Springer Nature Switzerland AG
Publisher's
Address
H-1117 Budapest, Hungary 1516 Budapest, PO Box 245.
CH-6330 Cham, Switzerland Gewerbestrasse 11.
Responsible
Publisher
Chief Executive Officer, Akadémiai Kiadó
ISSN 1388-6150 (Print)
ISSN 1588-2926 (Online)

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