Journal
CHEMICAL PHYSICS LETTERS
Volume 647, Issue -, Pages 55-58Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.cplett.2016.01.001
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Funding
- National Academy of Sciences of Ukraine [0114U001070]
- Polish Academy of Science
- National Science Center, Poland, of the Harmonia project Thermal properties of simple vander Waals crystals based nanostructure materials [UMO2013/08/M/ST3/00934]
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Thermal conductivity kappa of a single crystal triclinic 4-bromobenzophenone polymorph was measured along axis b from 4.5 to 303 K. The kappa values versus temperature were represented as a sum of kappa(1), which generally describes the thermal conductivity of ordered crystals, and kappa(TA) responsible for activation processes, which fits nicely experimental data from 120 up. DFT analysis led to the conclusion that the activation agent responsible for the high-temperature behavior is the molecular mode that involves C-Br oscillations. It is for the first time that the exponential thermal conduction was ascribed to a specific intramolecular excitation. (C) 2016 Elsevier B.V. All rights reserved.
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