Issue 37, 2021

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

Abstract

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.

Graphical abstract: Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

Supplementary files

Article information

Article type
Paper
Submitted
09 Maw 2021
Accepted
31 Mha 2021
First published
01 Ndz 2021

CrystEngComm, 2021,23, 6620-6625

Evolution of crystal structure of dual layered molecular conductor (ET)4ZnBr4(C6H4Cl2) with temperature

G. V. Shilov, E. I. Zhilyaeva, S. M. Aldoshin, A. M. Flakina, R. B. Lyubovskii, S. I. Pesotskii and R. N. Lyubovskaya, CrystEngComm, 2021, 23, 6620 DOI: 10.1039/D1CE00902H

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