Jump to main content
Jump to site search


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

Abstract

Variable temperature single-crystal X-ray diffraction reveals uniaxial negative thermal expansion (NTE) of the crystal of 1,4-bis(1'-hydroxycyclopentyl)-1,3-butadiyne. 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.

Back to tab navigation

Supplementary files

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, Accepted Manuscript
  •   Request permissions

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

    D. Das and L. Barbour, CrystEngComm, 2018, Accepted Manuscript , DOI: 10.1039/C8CE01169A

Search articles by author

Spotlight

Advertisements