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

Yury V. Torubaev, Ivan V. Skabitsky, Konstantin A. Lyssenko

Research output: Contribution to journalArticlepeer-review

6 Scopus citations

Abstract

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.

Original languageEnglish
Pages (from-to)580-582
Number of pages3
JournalMendeleev Communications
Volume30
Issue number5
DOIs
StatePublished - 1 Sep 2020
Externally publishedYes

Keywords

  • cocrystals
  • ferrocene
  • ferrocenyl
  • halogen bonding
  • hydrogen bonding
  • intermolecular interactions
  • polyiodide
  • supramolecular
  • ternary crystals

ASJC Scopus subject areas

  • General Chemistry

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