Ammonium cyanate shows N-H center dot center dot center dot N hydrogen bonding, not N-H center dot center dot center dot O

MacLean, Elizabeth J., Harris, Kenneth David Maclean ORCID: https://orcid.org/0000-0001-7855-8598, Kariuki, Benson ORCID: https://orcid.org/0000-0002-8658-3897, Kitchin, Simon J., Tykwinski, Rik R., Swainson, Ian P. and Dunitz, Jack D. 2003. Ammonium cyanate shows N-H center dot center dot center dot N hydrogen bonding, not N-H center dot center dot center dot O. Journal of the American Chemical Society 125 (47) , pp. 14449-14451. 10.1021/ja021156x

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Abstract

The transformation of ammonium cyanate into urea, first studied over 170 years ago by Wöhler and Liebig, has an important place in the history of chemistry. To understand the nature of this solid state reaction, knowledge of the crystal structure of ammonium cyanate is a prerequisite. Employing neutron powder diffraction, we demonstrate conclusively that, in the structure of ammonium cyanate, the NH4+ cation forms N−H···N hydrogen bonds to four cyanate N atoms at alternate corners of a distorted cube, rather than our previously proposed alternative arrangement with N−H···O hydrogen bonds to cyanate O atoms at the other four corners.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Subjects:	Q Science > QD Chemistry
Publisher:	American Chemical Society
Last Modified:	24 Oct 2022 11:11
URI:	https://orca.cardiff.ac.uk/id/eprint/47206

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