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Issue 35, 2018
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Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal

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Abstract

Variable temperature single-crystal X-ray diffraction reveals uniaxial negative thermal expansion (NTE) of 1,4-bis(1′-hydroxycyclopentyl)-1,3-butadiyne crystal. The length of the unit cell axis a decreases with increasing temperature, whereas the b and c axes increase. The mechanism of the negative thermal expansion in the organic crystal has been derived by analysis of the crystal structures at different temperatures. Steric adjustment of the molecules in the crystal structure requires twisting of the terminal cyclopentyl ring, which drives the contraction of one of the principal axes.

Graphical abstract: Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal

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Publication details

The article was received on 16 Jul 2018, accepted on 07 Aug 2018 and first published on 08 Aug 2018


Article type: Communication
DOI: 10.1039/C8CE01169A
Citation: CrystEngComm, 2018,20, 5123-5126

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    Uniaxial negative thermal expansion induced by moiety twisting in an organic crystal

    D. Das and L. J. Barbour, CrystEngComm, 2018, 20, 5123
    DOI: 10.1039/C8CE01169A

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