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Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature†статья
Статья опубликована в высокорейтинговом журнале
Статья опубликована в журнале из списка Web of Science и/или Scopus- Авторы: Shilov Gennady V., Zhilyaeva Elena I., Aldoshin Sergey M., Flakina Alexandra M., Lyubovskii Rustem B., Pesotskii Sergei I., Lyubovskaya Rimma N.
- Журнал: CrystEngComm
- Том: 23
- Номер: 37
- Год издания: 2021
- Издательство: Royal Society of Chemistry
- Местоположение издательства: United Kingdom
- Первая страница: 6620
- Последняя страница: 6625
- DOI: 10.1039/d1ce00902h
- Аннотация: Electrical resistivity measurements of a dual layered organic conductor (ET)4ZnBr4(1,2-C6H4Cl2) above room temperature show abrupt changes in resistivity at 320 K. Single-crystal X-ray diffraction studies in the 100–350 K range show polymorphic transformation at Tp ∼320 K, indicating that the crystals belong to the tetragonal system (high-temperature phase, HT-phase) above Tp and to the triclinic system (low-temperature phase, LT-phase) below Tp with abrupt phase transition from the HT-phase to the LT-phase. During the sequential heating of the crystal, anharmonic effects are detected in the 260–315 K range: i) an increase in growth of rate of parameter a and rate of the mean-square atomic displacements of the [ZnBr4]2− anions; ii) an increase in the amplitudes of thermal vibrations of ET and solvent molecules. The structure near the phase transition at 315 K reveals splitting of the positions of ethylene groups of ET, demonstrating for the first time that for the (ET)4MBr4(1,2-C6H4Cl2) family disordering of the ET occurs in the LT-phase when approaching Tp. The final rearrangement of the structure from the triclinic LT-phase to the tetragonal HT-phase occurs above 315 K.
- Добавил в систему: Алдошин Сергей Михайлович