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ЖУРНАЛЫ // Mendeleev Communications // Архив

Mendeleev Commun., 2020, том 30, выпуск 5, страницы 580–582 (Mi mendc1258)

Эта публикация цитируется в 9 статьях

Communications

Structure-defining interactions in the salt cocrystals of $\mathrm{[(Me_5C_5)_2Fe^+]I_3^{-} - XC_6H_4OH}$ $\mathrm{X=Cl, I}$: weak noncovalent vs. strong ionic bonding

Yu. V. Torubaeva, I. V. Skabitskya, K. A. Lyssenkobc

a N.S. Kurnakov Institute of General and Inorganic Chemistry, Russian Academy of Sciences, Moscow, Russian Federation
b G.V. Plekhanov Russian University of Economics, Moscow, Russian Federation
c Department of Chemistry, M.V. Lomonosov Moscow State University, Moscow, Russian Federation


Аннотация: In the cocrystalline salts $\mathrm{[(Me_5C_5)_2Fe^+]I_3^{-}/(4\text{-}XC_6H_4OH)}$ $\mathrm{X= Cl, I}$, the directionality of $\mathrm{X \cdots I\text{-}I_2}$ halogen bonds is a significant packing factor notwithstanding their relatively low energies ($\mathrm{\sim~10~kcal~mol^{-1}}$), as compared to the fivefold stronger ionic bonding between $\mathrm{[(Me_5C_5)_2Fe^+]}$ and $\mathrm{[I_3]^{-}}$ ($\mathrm{\sim~50~kcal~mol^{-1}}$). This adds significant details to the structural landscape of $\mathrm{[(Me_5C_5)_2Fe^+]I_3}$ and offers an illustrative example of the stronger structure-defining effect of halogen bonding over the hydrogen one.

Ключевые слова: halogen bonding, hydrogen bonding, ternary crystals, cocrystals, ferrocene, ferrocenyl, polyiodide, intermolecular interactions, supramolecular.

Язык публикации: английский

DOI: 10.1016/j.mencom.2020.09.009



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