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

被引：5

作者：

Bondarenko, Mikhail A. ^{[1
]}

Novikov, Alexander S. ^{[2
]}

Abramov, Pavel A. ^{[1
]}

Sakhapov, Ilyas F. ^{[3
]}

Sokolov, Maxim N. ^{[1
,4
]}

Adonin, Sergey A. ^{[1
,3
]}

机构：

[1] Nikolaev Inst Inorgan Chem SB RAS, Lavrentieva St 3, Novosibirsk 630090, Russia

[2] St Petersburg State Univ, Inst Chem, Univ Skaya Nab 7-9, St Petersburg 199034, Russia

[3] South Ural State Univ, Chelyabinsk 454080, Russia

[4] Kazan Fed Univ, Alexander Butlerov Inst Chem, Lobachevskogo Str 1-29, Kazan 420008, Russia

来源：

JOURNAL OF MOLECULAR STRUCTURE | 2021年 / 1230卷

基金：

俄罗斯基础研究基金会;

关键词：

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

D O I：

10.1016/j.molstruc.2021.129931

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Reactions of tri(n-propyl)ammonium (1) or 1,3,5-trimethylpyridinium (2) iodides with 2,3,4,5tetraiodopyrrole (TIP) results in formation of hybrids CatI center dot TIP center dot 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. (C) 2021 Elsevier B.V. All rights reserved.

引用

页数：5

共 72 条

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