Halogen vs. ionic bonding: an unusual isomorphism between the neutral (C5Me5)2Fe/C2I2 cocrystal and ionic [(C5Me5)2Fe]Br3 crystal

Yury V. Torubaev, Ivan V. Skabitsky, Georgy A. Saratov, Petr Yu Barzilovich

Research output: Contribution to journalArticlepeer-review

Abstract

Almost equal molecular sizes of diiodoacetylene (C2I2) and the [Br3] anion result in isomorphic neutral cocrystal (DMFc–C2I2) and [DMFc]+Br3 salt. This isomorphic pair of neutral and ionic crystals provides a unique example for the analysis of different types of bonding resulting in isotypic solid-state structures. Their energy frameworks visualize the obvious difference between their energetic structures: the lattice of DMFc–C2I2 is built upon the chains stabilized by I···(η5-C5Me5) halogen bonds; at the same time, [DMFc]+Br3 consists of electrostatically assembled layers associated by Br···π(Cp*) XBs interactions.

Original languageAmerican English
Pages (from-to)58-61
Number of pages4
JournalMendeleev Communications
Volume31
Issue number1
DOIs
StatePublished - 1 Jan 2021
Externally publishedYes

Keywords

  • charge-transfer complexes
  • cocrystals
  • energy framework
  • ferrocene
  • ferrocenium
  • ferrocenyl
  • halogen bonding
  • intermolecular interactions
  • iodoacetylene
  • polybromides
  • polyiodides
  • self-assembly
  • supramolecular

All Science Journal Classification (ASJC) codes

  • General Chemistry

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