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Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene

Bear, JC; Cockcroft, JK; Williams, JH; (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. 10.1021/jacs.9b11895. Green open access

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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.

Type: Article
Title: Influence of Solvent in Crystal Engineering: A Significant Change to the Order-Disorder Transition in Ferrocene
Open access status: An open access version is available from UCL Discovery
DOI: 10.1021/jacs.9b11895
Publisher version: https://doi.org/10.1021/jacs.9b11895
Language: English
Additional information: This version is the author accepted manuscript. For information on re-use, please refer to the publisher’s terms and conditions.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > Dept of Chemistry
URI: https://discovery.ucl.ac.uk/id/eprint/10095006
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