Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds

Christensen, Kirsten, Williams, P. Andrew, Patterson, Rhian, Palmer, Benjamin A., Couzi, Michel, Guillaume, François and Harris, Kenneth D. M. ORCID: https://orcid.org/0000-0001-7855-8598 2019. Reply to comment on Couzi et al. (2018): a phenomenological model for structural phase transitions in incommensurate alkane/urea inclusion compounds. Royal Society Open Science 6 (8) , 190518. 10.1098/rsos.190518

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Abstract

In a recent paper (Couzi et al. 2018 R. Soc. open sci.5, 180058. (doi:10.1098/rsos.180058)), we proposed a new phenomenological model to account for the I↔II↔“III” phase sequence in incommensurate n-alkane/urea inclusion compounds, which represents an alternative interpretation to that proposed in work of Toudic et al. In a Comment (Toudic et al. 2019 R. Soc. open sci.6, 182073. (doi:10.1098/rsos.182073)), Toudic et al. have questioned our assignment of the superspace group of phase II of n-nonadecane/urea, which they have previously assigned, based on a (3 + 2)-dimensional superspace, as C2221(00γ)(10δ). In this Reply, we present new results from a comprehensive synchrotron single-crystal X-ray diffraction study of n-nonadecane/urea, involving measurements as a detailed function of temperature across the I↔II↔“III” phase transition sequence. Our results demonstrate conclusively that “main reflections” (h, k, l, 0) with h+k odd are observed in phase II of n-nonadecane/urea (including temperatures in phase II that are just below the transition from phase I to phase II), in full support of our assignment of the (3+1)-dimensional superspace group P212121(00γ) to phase II. As our phenomenological model is based on phase II and phase “III” of this incommensurate material having the same (3+1)-dimensional superspace group P212121(00γ), it follows that the new X-ray diffraction results are in full support of our phenomenological model.

Item Type:	Article
Date Type:	Publication
Status:	Published
Schools:	Chemistry
Publisher:	Royal Society, The
ISSN:	2054-5703
Date of First Compliant Deposit:	1 October 2019
Date of Acceptance:	22 July 2019
Last Modified:	18 May 2023 09:31
URI:	https://orca.cardiff.ac.uk/id/eprint/125797

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