Bear, Joseph C., Cockcroft, Jeremy K. and Williams, Jeffrey H. (2020) Influence of solvent in crystal engineering : a significant change to the order–disorder transition in ferrocene. Journal of the American Chemical Society, 142(4), pp. 1731-1734. ISSN (print) 0002-7863

Abstract

We present the structure of a novel solvate adduct formed by dissolving ferrocene, FeCp2, in hexafluorobenzene, C6F6. This adduct demonstrates the remarkably strong interactions between the five-membered aromatic rings of FeCp2 and the six-membered aromatic ring of C6F6. These molecular interactions are sufficiently strong and anisotropic to change the temperature of the order–disorder transition of the ferrocene molecule from below ca. 164 K to RT. No solvate adduct could be formed between benzene and FeCp2. These observations will be of particular relevance to the crystal engineering community, whose goal is the design of solids with bespoke properties.

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Official URL:	https://doi.org/10.1021/jacs.9b11895
Item Type:	Article
Additional Information:	This work was supported by the Engineering and Physical Sciences Research Council [grant number: EP/K03930X/1] and Kingston University [grant number: P1305-103].
Uncontrolled Keywords:	Adducts; Molecules; Sandwich compounds; Aromatic compounds; Molecular structure
Research Area:	Research Areas > Chemical engineering Research Areas > Chemistry
Faculty, School or Research Centre:	Faculty of Science, Engineering and Computing Faculty of Science, Engineering and Computing > School of Life Sciences, Pharmacy and Chemistry
Date Deposited:	18 Feb 2020 11:25
Last Modified:	20 Jun 2022 17:12
DOI:	https://doi.org/10.1021/jacs.9b11895
URI:	https://eprints.kingston.ac.uk/id/eprint/45019

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