New structural type in polybromide-bromometalate hybrids: (Me3NH)3{[Bi2Br9](Br2)} - Crystal structure and theoretical studies of non-covalent Br •Br interactions

被引：6
|
作者：
Gorokh, Igor D. [1 ,2 ]
Adonin, Sergey A. [1 ,3 ]
Abramov, Pavel A. [1 ,3 ]
Novikov, Alexander S. [4 ]
Sokolov, Maxim N. [1 ,5 ]
Fedin, Vladimir P. [1 ,3 ]
机构：
[1] RAS, Nikolaev Inst Inorgan Chem SB, 3 Lavrentiev Av, Novosibirsk 630090, Russia
[2] Skolkovo Inst Sci & Technol, Ctr Electrochem Energy Storage, Nobel St 3, Moscow 143026, Russia
[3] Novosibirsk State Univ, Pirogova St 2, Novosibirsk 630090, Russia
[4] St Petersburg State Univ, Inst Chem, Univ Skaya Nab 7-9, St Petersburg 199034, Russia
[5] Kazan Fed Univ, Alexander Butlerov Inst Chem, Lobachevskogo St 1-29, Kazan 420008, Russia
来源：
INORGANIC CHEMISTRY COMMUNICATIONS | 2018年 / 98卷
基金：
俄罗斯科学基金会;
关键词：
Polybromides; QTAIM; Bismuth; Halogen bonding; Supramolecular contacts; LIQUID-BASED SYNTHESIS; HYDROGEN; BROMINE; COMPLEXES; CHEMISTRY; NETWORKS; ANIONS;
D O I：
10.1016/j.inoche.2018.10.027
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
Reaction between [BiBr6](3-) and Br-2 in HBr in presence of trimethylammonium bromide results in self-assembly of a supramolecular halometalate-polybromide derivative (Me3NH)(3){[Bi2Br9](Br-2)} belonging to a novel structural type. DFT calculations allowed estimation of Br center dot center dot center dot Br contact energies (1.3-4.4 kcal/mol).
引用
收藏
页码：169 / 173
页数：5
相关论文
共 12 条
  • [1] Hybrid chlorobismuthate(III) "trapping" Br2 unit: Crystal structure and theoretical investigation of non-covalent Cl•••Br interactions in (1-MePy)3{[Bi2Cl9](Br2)}
    Usoltsev, Andrey N.
    Korobeynikov, Nikita A.
    Novikov, Alexander S.
    Plyusnin, Pavel E.
    Fedin, Vladimir P.
    Sokolov, Maxim N.
    Adonin, Sergey A.
    INORGANICA CHIMICA ACTA, 2020, 513
  • [2] A novel polybromide complex of bismuth - (Et4N)3{[Bi2Br9](Br2)}: synthesis and structural features
    Adonin, Sergey A.
    Gorokh, Igor D.
    Abramov, Pavel A.
    Korolkov, Ilya V.
    Sokolov, Maxim N.
    Fedin, Vladimir P.
    MENDELEEV COMMUNICATIONS, 2018, 28 (01) : 39 - 40
  • [3] Supramolecular Bromoantimonate(V) Polybromide (2,6-BrPyH)3[SbBr6]{(Br2)Br} • 2H2O: Specific Features of Halogen•••Halogen Contacts in the Crystal Structure
    Bondarenko, M. A.
    Adonin, S. A.
    Novikov, A. S.
    Sokolov, M. N.
    Fedin, V. P.
    RUSSIAN JOURNAL OF COORDINATION CHEMISTRY, 2020, 46 (05) : 302 - 307
  • [4] Synthesis, molecular and crystal structure of [(NH2)2CSSC(NH2)2]2[RuBr6]Br2•3H2O
    Rudnitskaya, Olga V.
    Komarovskikh, Milena R.
    Pekarskaya, Maria G.
    Pshenichnyy, Daniil S.
    Akkurt, Mehmet
    Khalilov, Ali N.
    Bhattarai, Ajaya
    Mamedov, Ibrahim G.
    ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, 2024, 80 : 886 - +
  • [5] [UO2(NH3)5]Br2•NH3: synthesis, crystal structure, and speciation in liquid ammonia solution by first-principles molecular dynamics simulations
    Woidy, Patrick
    Buehl, Michael
    Kraus, Florian
    DALTON TRANSACTIONS, 2015, 44 (16) : 7332 - 7337
  • [6] Bi9Rh2Br3, Bi9Rh2I3, and Bi9Ir2I3 -: A new structure family of quasi one-dimensional metals
    Ruck, M
    Heich, RM
    ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 2000, 626 (12): : 2449 - 2456
  • [7] Crystal structure and magnetic properties of Bi(Bi9)[NbCl6]3, a new member of the structure family Bi(Bi9)[MX6]3, and the crystal structure of Bi8[Ta2O2Br7]2
    Beck, J
    Hilbert, T
    EUROPEAN JOURNAL OF INORGANIC CHEMISTRY, 2004, (10) : 2019 - 2026
  • [8] CRYSTAL STRUCTURE OF A NEW MAGNESIUM PARATUNGSTATE SALT (CH3NH3)4[(Mg(H2O)5)2H6W12O42]Br2•8H2O
    Anyushin, A. V.
    Smolentsev, A. I.
    Sokolov, M. N.
    JOURNAL OF STRUCTURAL CHEMISTRY, 2017, 58 (03) : 597 - 599
  • [9] One-Dimensional Supramolecular Hybrid Iodobismuthate (1-EtPy)3{[Bi2I9](I2)0.75}: Structural Features and Theoretical Studies of I•••I Non-Covalent Interactions
    Usoltsev, Andrey N.
    Korobeynikov, Nikita A.
    Novikov, Alexander S.
    Shayapov, Vladimir R.
    Korolkov, Ilya, V
    Samsonenko, Denis G.
    Fedin, Vladimir P.
    Sokolov, Maxim N.
    Adonin, Sergey A.
    JOURNAL OF CLUSTER SCIENCE, 2021, 32 (03) : 787 - 791
  • [10] One-Dimensional Supramolecular Hybrid Iodobismuthate (1-EtPy)3{[Bi2I9](I2)0.75}: Structural Features and Theoretical Studies of I···I Non-Covalent Interactions
    Andrey N. Usoltsev
    Nikita A. Korobeynikov
    Alexander S. Novikov
    Vladimir R. Shayapov
    Ilya V. Korolkov
    Denis G. Samsonenko
    Vladimir P. Fedin
    Maxim N. Sokolov
    Sergey A. Adonin
    Journal of Cluster Science, 2021, 32 : 787 - 791
12