Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double s-Hole Donating Halolium with CuI-Containing O,O-Donors

Noncovalent Chelation by Halogen Bonding in the Design of Metal-Containing Arrays: Assembly of Double s-Hole Donating Halolium with CuI-Containing O,O-Donors

Detalhes bibliográficos
Parent link:Inorganic Chemistry
Vol. 62, iss. 15.— 2023.— P. 6128–6137
Outros Autores: Semenov A. V. Artem Valerjevich, Baykov S. V. Sergey Valentinovich, Soldatova N. S. Nataliya Sergeevna, Geyl K. K. Kirill Konstantinovich, Ivanov D. M. Daniil Mikhaylovich, Frontera A. Antonio, Boyarsky V. P. Vadim Pavlovich, Postnikov P. S. Pavel Sergeevich, Kukushkin V. Yu. Vadim Yurjevich
Resumo:Title screen
Five new copper(I) complexes-composed of the paired dibenzohalolium and [CuL2]- (L = 1,2,4-oxadiazolate) counterions in which O,O-atoms of the anion are simultaneously linked to the halogen atom-were generated and isolated as the solid via the three-component reaction between [Cu(MeCN)4](BF4), sodium 1,2,4-oxadiazolates, and dibenzohalolium triflates (or trifluoroacetates). This reaction is different from the previously reported CuI-catalyzed arylation of 1,2,4-oxadiazolones by diaryliodonium salts. Inspection of the solid-state X-ray structures of the complexes revealed the strong three-center X···O,O (X = Br, I) halogen bonding occurred between the oxadiazolate moieties and dibenzohalolium cation. According to performed theoretical calculations, this noncovalent interaction (or noncovalent chelation) was recognized as the main force in the stabilization of the copper(I) complexes. An explanation for the different behavior of complexes, which provide either chelate or nonchelate binding, is based on the occurrence of additional -CH3···p interactions, which were also quantified.
Текстовый файл
AM_Agreement
Idioma:inglês
Publicado em: 2023
Assuntos:
электронный ресурс
труды учёных ТПУ
Acesso em linha:https://doi.org/10.1021/acs.inorgchem.3c00229
Formato: Recurso Electrónico Capítulo de Livro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=669387

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