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含氯的亚硒酸氯(IV):强Cl⋅⋅⋅Cl卤键的实例

Oxochloroselenate(IV) with Incorporated {Cl }: The Case of Strong Cl⋅⋅⋅Cl Halogen Bonding.

作者信息

Usoltsev Andrey N, Korobeynikov Nikita A, Kolesov Boris A, Novikov Alexander S, Abramov Pavel A, Sokolov Maxim N, Adonin Sergey A

机构信息

Nikolaev Institute of Inorganic Chemistry SB RAS, Lavrentieva St. 3, 630090, Novosibirsk, Russia.

Institute of Chemistry, Saint Petersburg State University, Universitetskaya Nab. 7-9, 199034, Saint Petersburg, Russia.

出版信息

Chemistry. 2021 Jun 25;27(36):9292-9294. doi: 10.1002/chem.202101024. Epub 2021 May 21.

Abstract

Reaction of SeO , tetramethylammonium (TMA) chloride, aqueous HCl and Cl yields oxochloroselenate with incorporated Cl units, TMA {Se O Cl }. The main feature of this compound is the strong (up to 3.5 kcal mol , according to DFT calculations) Cl⋅⋅⋅Cl bonding, which is also detected by Raman spectroscopy.

摘要

二氧化硒(SeO₂)、四甲基氯化铵(TMA)、盐酸水溶液(HCl)和氯气(Cl₂)反应生成含有氯单元的氯氧化硒酸盐,即四甲基铵盐{SeO₂Cl₂}。该化合物的主要特征是存在强的Cl⋅⋅⋅Cl键(根据密度泛函理论计算,键能高达3.5千卡/摩尔),拉曼光谱也检测到了这种键。

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