Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3−–XC6H4OH (X=Cl, I): weak noncovalent vs. strong ionic bonding

[Display omitted] In the cocrystalline salts [(Me5C5)2Fe]+I3−/(4-XC6H4OH) (X = Cl, I), the directionality of X⋯I−I2 halogen bonds is a significant packing factor notwithstanding their relatively low energies (∼10kcalmol−1), as compared to the fivefold stronger ionic bonding between [(Me5C5)2Fe+] and...

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Bibliographic Details
Published in:Mendeleev communications 2020-09, Vol.30 (5), p.580-582
Main Authors: Torubaev, Yury V., Skabitsky, Ivan V., Lyssenko, Konstantin A.
Format: Article
Language:English
Subjects:
cocrystals
ferrocene
ferrocenyl
halogen bonding
hydrogen bonding
intermolecular interactions
polyiodide
supramolecular
ternary crystals
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Summary:[Display omitted] In the cocrystalline salts [(Me5C5)2Fe]+I3−/(4-XC6H4OH) (X = Cl, I), the directionality of X⋯I−I2 halogen bonds is a significant packing factor notwithstanding their relatively low energies (∼10kcalmol−1), as compared to the fivefold stronger ionic bonding between [(Me5C5)2Fe+] and [I3]− (∼50kcalmol−1). This adds significant details to the structural landscape of [(Me5C5)2Fe+]I3 and offers an illustrative example of the stronger structure-defining effect of halogen bonding over the hydrogen one.
ISSN:0959-9436
DOI:10.1016/j.mencom.2020.09.009