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High pressure studies on the packing forces and intermolecular interaction in polyphenyls

Published online by Cambridge University Press:  15 February 2011

G. Heimel ,
P. Puschnig ,
M. Oehzelt ,
K. Hummer ,
B. Koppelhuber-Bitschnau ,
F. Porsch ,
C. Ambrosch-Draxl  and
R. Resel
G. Heimel
Affiliation:
Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria
P. Puschnig
Affiliation:
Institute for Theoretical Physics, University of Graz, Universitätsplatz 5, A-8010 Graz, Austria
M. Oehzelt
Affiliation:
Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria
K. Hummer
Affiliation:
Institute for Theoretical Physics, University of Graz, Universitätsplatz 5, A-8010 Graz, Austria
B. Koppelhuber-Bitschnau
Affiliation:
Institute of Physical and Theoretical Chemistry, Graz University of Technology, Technikerstrasse 4, A-8010 Graz, Austria
F. Porsch
Affiliation:
Institute of Mineralogy and Petrology, University of Bonn, Poppelsdorfer Schloss, D-53115 Bonn, Germany
C. Ambrosch-Draxl
Affiliation:
Institute for Theoretical Physics, University of Graz, Universitätsplatz 5, A-8010 Graz, Austria
R. Resel
Affiliation:
Institute of Solid State Physics, Graz University of Technology, Petersgasse 16, A-8010 Graz, Austria
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Abstract

In this work, we report on pressure induced structural changes in crystalline oligo(paraphenylenes) containing two to six phenyl rings. Revisiting the crystal structures at ambient conditions reveals details in the packing principle. A linear relationship between the density at ambient conditions and the number of phenyl rings is found. Energy dispersive X-ray diffraction has been performed in a systematic study on polycrystalline powders of biphenyl, paraterphenyl, p-quaterphenyl, p-quinquephenyl and p-sexiphenyl under hydrostatic pressure up to 60 kbar. Our investigations not only yield pressure dependent lattice parameters and hints towards pressure induced changes in the molecular arrangement, but also allow for an analysis of the equations of state of these substances as a function of oligomer length. We report the previously unknown bulk modulus of p-quaterphenyl, p-quinquephenyl, and p-sexiphenyl (B0 = 83 kbar, 93 kbar, and 100 kbar respectively) and its pressure derivative (B0' = 6.4, 7.5, and 5.6). A linear dependence of the bulk modulus on the inverse number of phenyl rings in the molecules is found.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 771: Symposium L – Organic and Polymeric Materials and Devices , 2003 , L7.22
Copyright
Copyright © Materials Research Society 2003

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