High-Pressure–High-Temperature Study of Benzene: Refined Crystal Structure and New Phase Diagram up to 8 GPa and 923 K
| Autor: | A. M. Dymshits, Sergey V. Rashchenko, Hiroyuki Kagi, Konstantin D. Litasov, Anton Shatskiy, Asami Sano-Furukawa, Artem D. Chanyshev, Takanori Hattori, Igor S. Sharygin, Yuji Higo |
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| Rok vydání: | 2018 |
| Předmět: |
Deuterated benzene
Materials science 02 engineering and technology General Chemistry Crystal structure 010402 general chemistry 021001 nanoscience & nanotechnology Condensed Matter Physics 01 natural sciences 0104 chemical sciences chemistry.chemical_compound Crystallography symbols.namesake chemistry Deuterium Phase (matter) symbols Molecule General Materials Science van der Waals force 0210 nano-technology Benzene Phase diagram |
| Zdroj: | Crystal Growth & Design. 18:3016-3026 |
| ISSN: | 1528-7505 1528-7483 |
| DOI: | 10.1021/acs.cgd.8b00125 |
| Popis: | The high-temperature structural properties of solid benzene were studied at 1.5–8.2 GPa up to melting or decomposition using multianvil apparatus and in situ neutron and X-ray diffraction. The crystal structure of deuterated benzene phase II (P21/c unit cell) was refined at 3.6–8.2 GPa and 473–873 K. Our data show a minor temperature effect on the change in the unit cell parameters of deuterated benzene at 7.8–8.2 GPa. At 3.6–4.0 GPa, we observed the deviation of deuterium atoms from the benzene ring plane and minor zigzag deformation of the benzene ring, enhancing with the temperature increase caused by the displacement of benzene molecules and decrease of van der Waals bond length between the π-conjuncted carbon skeleton and the deuterium atom of adjacent molecule. Deformation of benzene molecule at 723–773 K and 3.9–4.0 GPa could be related to the benzene oligomerization at the same conditions. In the pressure range of 1.5–8.2 GPa, benzene decomposition was defined between 773–923 K. Melting was identi... |
| Databáze: | OpenAIRE |
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