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

Joseph C. Bear; Jeremy K. Cockcroft; Jeffrey H. Williams

doi:10.1021/jacs.9b11895

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

Joseph C. Bear
, Jeremy K. Cockcroft
, Jeffrey H. Williams

Research output: Contribution to journal › Article › peer-review

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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.

Original language	English
Pages (from-to)	1731-1734
Journal	Journal of the American Chemical Society
Volume	142
Issue number	4
Early online date	13 Jan 2020
DOIs	https://doi.org/10.1021/jacs.9b11895
Publication status	Published - 29 Jan 2020

Bibliographical note

Note: This work was supported by the Engineering and Physical Sciences Research Council [grant number: EP/K03930X/1] and Kingston University [grant number: P1305-103].

Keywords

Adducts
Aromatic compounds
Chemical engineering
Molecular structure
Molecules
Sandwich compounds

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10.1021/jacs.9b11895

Bear-J-C-45019-AAMAccepted author manuscript, 773 KBLicence: Unspecified

https://doi.org/10.1021/jacs.9b11895

Exploration of weak, non-covalent interactions in the solid state
Bear, J. (CoPI) & Cockcroft, J. K. (CoPI)
7/01/19 → …
Project: Research

Cite this

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title = "Influence of solvent in crystal engineering: a significant change to the order-disorder transition in ferrocene",

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.",

keywords = "Adducts, Aromatic compounds, Chemical engineering, Molecular structure, Molecules, Sandwich compounds",

author = "Bear, \{Joseph C.\} and Cockcroft, \{Jeremy K.\} and Williams, \{Jeffrey H.\}",

note = "Note: This work was supported by the Engineering and Physical Sciences Research Council [grant number: EP/K03930X/1] and Kingston University [grant number: P1305-103].",

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AU - Bear, Joseph C.

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AU - Williams, Jeffrey H.

N1 - Note: This work was supported by the Engineering and Physical Sciences Research Council [grant number: EP/K03930X/1] and Kingston University [grant number: P1305-103].

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N2 - 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.

AB - 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.

KW - Adducts

KW - Aromatic compounds

KW - Chemical engineering

KW - Molecular structure

KW - Molecules

KW - Sandwich compounds

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DO - 10.1021/jacs.9b11895

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JF - Journal of the American Chemical Society

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

Abstract

Bibliographical note

Keywords

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Projects

Exploration of weak, non-covalent interactions in the solid state

Cite this