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Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds

Lookup NU author(s): Rachael Lee, Glenn Lamming, Professor Mike ProbertORCiD

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Abstract

Single crystal neutron structures at several temperatures have been determined for beta-phase urea inclusion compounds containing hexadecane, 1,6-dibromohexane, and 2,7-octanedione guests. The neutron structure of the "partial channel" cocrystal of urea and DMF is also reported. Here we present an in-depth discussion and analysis of the structure and bonding of this urea series, in particular, how the guest compound affects the symmetry and hydrogen bonding of the host urea network. Additionally, we address the challenge of obtaining crystals suitable for neutron diffraction and present a new heating/cooling device to aid crystallization.

Publication metadata

Author(s): Lee R, Mason SA, Mossou E, Lamming G, Probert MR, Steed JW

Publication type: Article

Publication status: Published

Journal: Crystal Growth & Design

Year: 2016

Volume: 16

Issue: 12

Pages: 7175-7185

Print publication date: 01/12/2016

Online publication date: 11/11/2016

Acceptance date: 02/04/2016

ISSN (print): 1528-7483

ISSN (electronic): 1528-7505

Publisher: American Chemical Society

URL: http://dx.doi.org/10.1021/acs.cgd.6b01371

DOI: 10.1021/acs.cgd.6b01371

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