TY - JOUR
T1 - 2,3,4,5-Tetraiodopyrrole as a building block for halogen bonding
T2 - Formation of supramolecular hybrids with organic iodide salts in solid state
AU - Bondarenko, Mikhail A.
AU - Novikov, Alexander S.
AU - Abramov, Pavel A.
AU - Sakhapov, Ilyas F.
AU - Sokolov, Maxim N.
AU - Adonin, Sergey A.
N1 - Funding Information:
This work was supported by Russian Foundation for Basic Research (SAA, Grant No. 20-33-70010 ).
Publisher Copyright:
© 2021
Copyright:
Copyright 2021 Elsevier B.V., All rights reserved.
PY - 2021/4/15
Y1 - 2021/4/15
N2 - 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.
AB - 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.
KW - 2,3,4,5-Tetraiodopyrrole
KW - DFT calculations
KW - Halogen bonding
KW - Non-covalent interactions
KW - Supramolecular chemistry
UR - http://www.scopus.com/inward/record.url?scp=85099609030&partnerID=8YFLogxK
U2 - 10.1016/j.molstruc.2021.129931
DO - 10.1016/j.molstruc.2021.129931
M3 - Article
AN - SCOPUS:85099609030
VL - 1230
JO - Journal of Molecular Structure
JF - Journal of Molecular Structure
SN - 0022-2860
M1 - 129931
ER -