Influence of solvent in crystal engineering : a significant change to the order–disorder transition in ferrocene

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

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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.

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: Chemical engineering
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
Depositing User: Philip Keates
Date Deposited: 18 Feb 2020 11:25
Last Modified: 20 Feb 2020 08:23
DOI: https://doi.org/10.1021/jacs.9b11895
URI: http://eprints.kingston.ac.uk/id/eprint/45019

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