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Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate

Jones

Investigation of the changes in hydrogen bonding accompanying the structural reorganization at 103 K in ammonium iodate Thumbnail


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Abstract

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.

Acceptance Date Jan 7, 2019
Publication Date Apr 1, 2019
Publicly Available Date Mar 29, 2024
Journal Acta Crystallographica Section B: Structural Science, Crystal Engineering and Materials
Print ISSN 2052-5192
Publisher International Union of Crystallography
DOI https://doi.org/10.1107/S2052520619000325
Keywords neutron diffraction; hydrogen bonding; phase transitions; variable temperature; ammonium ion
Publisher URL http://doi.org/10.1107/S2052520619000325

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