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Published Online: 16 February 2017
Accepted: January 2017

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

J. Chem. Phys. 146, 074503 (2017); https://doi.org/10.1063/1.4976318
Kazuya Saito1,a), Takaaki Ikeda1, Yasuhisa Yamamura1, Hideki Saitoh2, Mafumi Hishida1, Yutaro Kobayashi1, Takeshi Fujita1, and Junji Ichikawa1
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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.

ACKNOWLEDGMENTS

This work was supported in part by a Grant-in-Aid for Scientific Research on Innovative Area “Fluctuation & Structure” (No. 26103504) from the Ministry of Education, Culture, Sports, Science, and Technology of Japan. Mr. Y. Arai is indebted for his assistance in sample preparation.

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