2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding

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

Research output: Contribution to journal › Article › peer-review

Institute of Chemistry

DOI

https://doi.org/10.1016/j.molstruc.2021.129931
Final published version

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

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 language	English
Article number	129931
Number of pages	5
Journal	Journal of Molecular Structure
Volume	1230
DOIs	https://doi.org/10.1016/j.molstruc.2021.129931
State	Published - 15 Apr 2021

Research areas

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

Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

ID: 73339732