New thermal conductivity mechanism in triclinic 4-bromobenzophenone crystal
| Autor: | M. A. Strzhemechny, D. I. Zloba, Alexander I. Krivchikov, O. Churiukova, Yu. V. Horbatenko, L. M. Buravtseva, Andrzej Jeżowski |
|---|---|
| Rok vydání: | 2016 |
| Předmět: |
Chemistry
General Physics and Astronomy 02 engineering and technology Triclinic crystal system 010402 general chemistry 021001 nanoscience & nanotechnology Thermal conduction 01 natural sciences 0104 chemical sciences Exponential function Crystal Crystallography Thermal conductivity Intramolecular force Physical and Theoretical Chemistry 0210 nano-technology Single crystal Excitation |
| Zdroj: | Chemical Physics Letters. 647:55-58 |
| ISSN: | 0009-2614 |
| DOI: | 10.1016/j.cplett.2016.01.001 |
| Popis: | Thermal conductivity κ of a single crystal triclinic 4-bromobenzophenone polymorph was measured along axis b from 4.5 to 303 K. The κ values versus temperature were represented as a sum of κ 1 , which generally describes the thermal conductivity of ordered crystals, and κ 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. |
| Databáze: | OpenAIRE |
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