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Structural Origins of the Anisotropic Thermal Expansion of BINOL Crystals

Lookup NU author(s): Dr Paul Waddell

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Abstract

© The Author(s) 2024.vMeasurement of the unit cell of (R)-BINOL over a 200° temperature range (300–100 K) reveals an anisotropic contraction where the c-axis contracts ca. 2.3% compared to a ca. 0.45% contraction of the a and b axes, a ca. six-fold difference in linear thermal expansion coefficient. This contraction corresponds to a decrease in the helical pitch of the 31 screw axis in the [001] direction. The anisotropic nature of the contraction is rationalised by a thorough analysis of intermolecular contacts within the crystal and their impact on the conformation of the molecule and crystal packing. Graphical Abstract: The crystal structure of (R)-BINOL exhibits a pronounced anisotropic thermal expansion. (Figure presented.).

Publication metadata

Author(s): Waddell PG

Publication type: Article

Publication status: Published

Journal: Journal of Chemical Crystallography

Year: 2024

Pages: ePub ahead of Print

Online publication date: 08/04/2024

Acceptance date: 14/03/2024

Date deposited: 17/04/2024

ISSN (print): 1074-1542

ISSN (electronic): 1572-8854

Publisher: Springer Nature

URL: https://doi.org/10.1007/s10870-024-01013-6

DOI: 10.1007/s10870-024-01013-6

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