Chlorotellurate(IV) supramolecular associates with "trapped" Br2: features of non-covalent halogenhalogen interactions in crystalline phases

被引：17
|
作者：
Usoltsev, Andrey N. [1 ]
Adonin, Sergey A. [1 ,2 ,3 ,4 ]
Novikov, Alexander S. [5 ]
Abramov, Pavel A. [1 ,2 ]
Sokolov, Maxim N. [1 ,2 ]
Fedin, Vladimir P. [1 ,2 ]
机构：
[1] RAS, Nikolaev Inst Inorgan Chem, SB, Lavrentieva St 3, Novosibirsk 630090, Russia
[2] Novosibirsk State Univ, Pirogova St 2, Novosibirsk 630090, Russia
[3] Branch Tyumen Ind Univ, Tobolsk Ind Inst, Zona Vuzov 5, Tobolsk 626158, Russia
[4] South Ural State Univ, Lenina St 76, Chelyabinsk 454080, Russia
[5] St Petersburg State Univ, Inst Chem, Univ Skaya Nab 7-9, St Petersburg 199034, Russia
来源：
CRYSTENGCOMM | 2020年 / 22卷 / 11期
基金：
俄罗斯科学基金会;
关键词：
ZETA BASIS-SETS; PHENYLTRIMETHYLAMMONIUM SALTS; MOLECULAR-STRUCTURE; BOND DONOR; CENTER-DOT; COMPLEXES; BROMINE; INTERPLAY; NETWORKS; STABILIZATION;
D O I：
10.1039/c9ce01820d
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
Reactions of chlorotellurates(IV) and Br-2 afford formation of one-dimensional supramolecular complexes of general formula Cat(2){[TeCl6](Br-2)} (Cat = Me3N+ (1), PyH+ (2), 4-MePyH+ (3) and 1-MePy+ (4)) where dibromine fragments are "trapped" by [TeCl6](3-)via specific BrCl interactions (halogen bonding). The energies of the latter were estimated by DFT calculations (up to 5.7 kcal mol(-1)).
引用
收藏
页码：1985 / 1990
页数：6
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