Yu. V. Torubaev, I. V. Skabitsky, K. A. Lyssenko, “Structure-defining interactions in the salt cocrystals of [(Me5C5)2Fe]+I3––XC6H4OH (X = Cl, I): weak noncovalent vs. strong ionic bonding”, Mendeleev Commun., 2020, том 30, выпуск 5,страницы 580

Эта публикация цитируется в 8 статьях

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

Yu. V. Torubaev^a, I. V. Skabitsky^a, K. A. Lyssenko^bc

^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 [(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 (~10 kcal mol–1), as compared to the fivefold stronger ionic bonding between [(Me5C5)2Fe+] and [I3]– (~50 kcal mol–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.

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