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
收藏
页数：5
相关论文
共 72 条
  • [21] The Halogen Bond
    Cavallo, Gabriella
    Metrangolo, Pierangelo
    Milani, Roberto
    Pilati, Tullio
    Priimagi, Arri
    Resnati, Giuseppe
    Terraneo, Giancarlo
    [J]. CHEMICAL REVIEWS, 2016, 116 (04) : 2478 - 2601
  • [22] Halogen bonding: a general route in anion recognition and coordination
    Cavallo, Gabriella
    Metrangolo, Pierangelo
    Pilati, Tullio
    Resnati, Giuseppe
    Sansotera, Maurizio
    Terraneo, Giancarlo
    [J]. CHEMICAL SOCIETY REVIEWS, 2010, 39 (10) : 3772 - 3783
  • [23] Long-range corrected hybrid density functionals with damped atom-atom dispersion corrections
    Chai, Jeng-Da
    Head-Gordon, Martin
    [J]. PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (44) : 6615 - 6620
  • [24] Selective Sensing of Phosphates by a New Bis-heteroleptic RuII Complex through Halogen Bonding: A Superior Sensor over Its Hydrogen-Bonding Analogue
    Chowdhury, Bijit
    Sinha, Sanghamitra
    Ghosh, Pradyut
    [J]. CHEMISTRY-A EUROPEAN JOURNAL, 2016, 22 (50) : 18051 - 18059
  • [25] Ciamician G. L., 1882, BER DTSCH CHEM GES, V15, P2579
  • [26] Metal-Involving Bifurcated Halogen Bonding C-Br•••η2(Cl-Pt)
    Dabranskaya, Uladzislava
    Ivanov, Daniil M.
    Novikov, Alexander S.
    Matveychuk, Yury, V
    Bokach, Nadezhda A.
    Kukushkin, Vadim Yu
    [J]. CRYSTAL GROWTH & DESIGN, 2019, 19 (02) : 1364 - 1376
  • [27] All-electron double zeta basis sets for platinum: Estimating scalar relativistic effects on platinum(II) anticancer drugs
    de Berredo, R. C.
    Jorge, F. E.
    [J]. JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM, 2010, 961 (1-3): : 107 - 112
  • [28] Definition of the halogen bond (IUPAC Recommendations 2013)
    Desiraju, Gautam R.
    Ho, P. Shing
    Kloo, Lars
    Legon, Anthony C.
    Marquardt, Roberto
    Metrangolo, Pierangelo
    Politzer, Peter
    Resnati, Giuseppe
    Rissanen, Kari
    [J]. PURE AND APPLIED CHEMISTRY, 2013, 85 (08) : 1711 - 1713
  • [29] Fine-tuning halogen bonding properties of diiodine through halogen-halogen charge transfer -extended [Ru(2,2′-bipyridine)(CO)2X2]•I2 systems (X = Cl, Br, I)
    Ding, Xin
    Tuikka, Matti J.
    Hirva, Pipsa
    Kukushkin, Vadim Yu.
    Novikov, Alexander S.
    Haukka, Matti
    [J]. CRYSTENGCOMM, 2016, 18 (11) : 1987 - 1995
  • [30] Hexaiododiplatinate(ii) as a useful supramolecular synthon for halogen bond involving crystal engineering
    Eliseeva, Anastasiya A.
    Ivanov, Daniil M.
    Novikov, Alexander S.
    Rozhkov, Anton V.
    Kornyakov, Ilya V.
    Dubovtsev, Alexey Yu.
    Kukushkin, Vadim Yu.
    [J]. DALTON TRANSACTIONS, 2020, 49 (02) : 356 - 367
12345678