Cell-quintupling: Structural phase transition in a molecular crystal, bis(trans-4-butylcyclohexyl)methanol

Kazuya Saito; Takaaki Ikeda; Yasuhisa Yamamura; Hideki Saitoh; Mafumi Hishida; Yutaro Kobayashi; Takeshi Fujita; Junji Ichikawa

doi:10.1063/1.4976318

Cell-quintupling: Structural phase transition in a molecular crystal, bis(trans-4-butylcyclohexyl)methanol

J Chem Phys. 2017 Feb 21;146(7):074503. doi: 10.1063/1.4976318.

Authors

Kazuya Saito¹, Takaaki Ikeda¹, Yasuhisa Yamamura¹, Hideki Saitoh², Mafumi Hishida¹, Yutaro Kobayashi¹, Takeshi Fujita¹, Junji Ichikawa¹

Affiliations

¹ Department of Chemistry, Faculty of Pure and Applied Sciences, University of Tsukuba, Tsukuba, Ibaraki 305-8571, Japan.
² Department of Chemistry, Graduate School of Science and Engineering, Saitama University, Saitama 338-8570, Japan.

PMID: 28228039
DOI: 10.1063/1.4976318

Abstract

A structural phase transition at 151.6 K of the title compound [bis(trans-4-butylcyclohexyl)methanol] is examined by X-ray diffraction crystallography, Fourier-transform infrared spectroscopy, and adiabatic calorimetry. A general consideration on possible superstructures indicates that a single modulation wave is sufficient to drive this cell-quintupling transition. The entropy of transition determined calorimetrically indicates that two conformations are dominant in the room-temperature phase in contrast to the fivefold disorder expected from the structure of the low-temperature phase.