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

Author:

Christensen Kirsten1,Williams P. Andrew2,Patterson Rhian23,Palmer Benjamin A.4,Couzi Michel5,Guillaume François5ORCID,Harris Kenneth D. M.2ORCID

Affiliation:

1. Inorganic Chemistry Laboratory, University of Oxford, South Parks Road, Oxford OX1 3QR, UK

2. School of Chemistry, Cardiff University, Park Place, Cardiff CF10 3AT, Wales, UK

3. Diamond Light Source, Harwell Science and Innovation Campus, Didcot OX11 0DE, UK

4. Department of Structural Biology, Weizmann Institute of Science, Rehovot 7610001, Israel

5. CNRS, Université de Bordeaux, ISM UMR 5255, 351 cours de la Libération, 33405 Talence Cedex, France

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 C222 1 (00 γ )(10 δ ). 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 P2 1 2 1 2 1 (00 γ ) 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 P2 1 2 1 2 1 (00 γ ), it follows that the new X-ray diffraction results are in full support of our phenomenological model.

Publisher

The Royal Society

Subject

Multidisciplinary

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