Abstract

Triiodide salts of pyridinium-type cations CatI3 (cat = 1,2-MePy (1), 1,2,6-MePy (2) and 1,2,4,6-MePy (3) were prepared and characterized by X-ray diffractometry. In the cases of 1 and 2, formation of supramolecular anionic dimers {(I3)2}2- was observed in solid state (I⋯I = 3.685 and 3.912 Å, respectively), while in 3 triiodides remain isolated. The features of I⋯I contacts were studied by theoretical methods and Raman spectroscopy.

Original languageEnglish
Article number127949
Number of pages5
JournalJournal of Molecular Structure
Volume1209
DOIs
Publication statusPublished - 5 Jun 2020

Keywords

  • DFT calculations contacts
  • Halogen bonding
  • Non-covalent interactions
  • Polyhalogens
  • Raman spectroscopy
  • INTERPLAY
  • RAMAN-SPECTROSCOPY
  • COMPLEXES
  • IODINE
  • NONCOVALENT INTERACTIONS
  • BROMINE
  • CRYSTALS
  • STRUCTURAL PROOF
  • LIQUID-BASED SYNTHESIS
  • BOND

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