2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding: Formation of supramolecular hybrids with organic iodide salts in solid state

Mikhail A. Bondarenko, Alexander S. Novikov, Pavel A. Abramov, Ilyas F. Sakhapov, Maxim N. Sokolov, Sergey A. Adonin

Research output: Contribution to journalArticlepeer-review

Abstract

Reactions of tri(n-propyl)ammonium (1) or 1,3,5-trimethylpyridinium (2) iodides with 2,3,4,5-tetraiodopyrrole (TIP) results in formation of hybrids CatI•TIP•xEtOH (X = 0.5 (1) and 0.33 (2), respectively) which feature strong halogen bonding (XB) between I atoms of TIP and iodide anions. DFT calculations reveal that XB energies are up to 4.3 kcal/mol.

Original languageEnglish
Article number129931
JournalJournal of Molecular Structure
Volume1230
DOIs
StatePublished - 15 Apr 2021

Scopus subject areas

  • Analytical Chemistry
  • Spectroscopy
  • Organic Chemistry
  • Inorganic Chemistry

Keywords

  • 2,3,4,5-Tetraiodopyrrole
  • DFT calculations
  • Halogen bonding
  • Non-covalent interactions
  • Supramolecular chemistry

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