Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving [mu]3-I···(Cl,Cl,Pt) Halogen Bond; Crystal Growth & Design; Vol. 21, iss. 9

Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving [mu]3-I···(Cl,Cl,Pt) Halogen Bond; Crystal Growth & Design; Vol. 21, iss. 9

Detalhes bibliográficos
Parent link:Crystal Growth & Design
Vol. 21, iss. 9.— 2021.— [Р. 5360-5372]
Corporate Authors: Национальный исследовательский Томский политехнический университет Исследовательская школа химических и биомедицинских технологий, Национальный исследовательский Томский политехнический университет Исследовательская школа химических и биомедицинских технологий Международная научно-исследовательская лаборатория "Невалентные взаимодействия в химии материалов"
Outros Autores: Suslonov V. V. Vitaly Valerjevich, Soldatova N. S. Nataliya Sergeevna, Ivanov D. M. Daniil Mikhaylovich, Galmes B. Bartomeu, Frontera A. Antonio, Resnati D. P. Dzhuzeppe Paolo, Postnikov P. S. Pavel Sergeevich, Kukushkin V. Yu. Vadim Yurjevich, Bokach N. A. Nadezhda Arsenjevna
Resumo:Title screen
Synthesis and X-ray characterization of the four diaryliodonium tetrachloroplatinates(II) [Ar1Ar2I]2[PtCl4] (Ar1/Ar2=Ph/Ph (1), 4-Cl-C6H4/2,4,6-(MeO)3C6H2 (2), 4-Me-C6H4/2,4,6-(MeO)3C6H2 (3), Ph/2,4,6-(MeO)3C6H2 (4)) allowed the deterimination of several types of unconventional halogen-bond (HaB) patterns. The first example of a metal-involved trifurcated four-center [mu]3-X···(X′,X′,M) HaB is represented by the metal-involving I···Pt HaB (the structure of 4) with iodonium cations acting as HaB donors, which is supported by two weak I···Cl HaB contacts. The structures of 1-3 display bifurcated three-center [mu]2-I···(Cl,Cl) HaBs with iodonium cations. DFT calculations were used to estimate the energetic features of the two types of HaB contacts. Molecular electrostatic potential (MEP) surfaces and noncovalent interaction plot index (NCIPlot) computational tools were used to evaluate the [sigma]-holes and characterize the HaBs, respectively, in all structures.
Idioma:inglês
Publicado em: 2021
Assuntos:
электронный ресурс
труды учёных ТПУ
синтез
рентгеновские исследования
галогены
энергетические характеристики
электростатические потенциалы
Acesso em linha:https://doi.org/10.1021/acs.cgd.1c00654
Formato: Recurso Electrónico Capítulo de Livro
KOHA link:https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=666314

Registos relacionados

Registos relacionados