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

Lee, Rachael; Mason, Sax A.; Mossou, Estelle; Lamming, Glenn; Probert, Michael R.; Steed, Jonathan W.

Abstract

Single crystal neutron structures at several temperatures have been determined for β-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.

Citation

Lee, R., Mason, S. A., Mossou, E., Lamming, G., Probert, M. R., & Steed, J. W. (2016). Neutron Diffraction Studies on Guest-Induced Distortions in Urea Inclusion Compounds. Crystal Growth and Design, 16(12), 7175-7185. https://doi.org/10.1021/acs.cgd.6b01371

• Journal Article Type: Article
• Acceptance Date: Nov 1, 2016
• Online Publication Date: Nov 11, 2016
• Publication Date: Dec 7, 2016
• Deposit Date: Dec 9, 2016
• Publicly Available Date: Nov 11, 2017
• Journal: Crystal Growth and Design
• Print ISSN: 1528-7483
• Electronic ISSN: 1528-7505
• Publisher: American Chemical Society
• Peer Reviewed: Peer Reviewed
• Volume: 16
• Issue: 12
• Pages: 7175-7185
• DOI: https://doi.org/10.1021/acs.cgd.6b01371
• Public URL: https://durham-repository.worktribe.com/output/1368641