Marshall, WG, Jones, RH, Knight, KS, Pulham, CR and Smith, RI (2019) Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate. Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials, 75 (2). ISSN 2052-5206

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Neutron powder diffraction has been used to observe the changes in hydrogen bonding that occur as a function of temperature in ND4IO3 and, thus, determine the structural features that occur during the low-temperature (103 K) phase transition. It is shown that in the deuterated material the change is not a phase change per se but rather a structural reorganization in which the hydrogen bonding becomes firmly locked in at the phase transition temperature, and stays in this configuration upon further cooling to 4.2 K. In addition, both the differences and changes in the axial thermal expansion coefficients in the region 100–290 K can be explained by the changes involving both the hydrogen bonding and the secondary I⋯O halogen bonds.

Item Type: Article
Additional Information: This is the final published version of the article (version of record). It first appeared online via Wiley at - Please refer to any applicable terms of use of the publisher.
Uncontrolled Keywords: neutron diffraction; hydrogen bonding; phase transitions; variable temperature; ammonium ion
Subjects: Q Science > QD Chemistry
Divisions: Faculty of Natural Sciences > School of Chemical and Physical Sciences
Depositing User: Symplectic
Date Deposited: 22 Mar 2019 14:24
Last Modified: 29 Apr 2019 08:17

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