Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving [mu]3-I···(Cl,Cl,Pt) Halogen Bond / V. V. Suslonov, N. S. Soldatova, D. M. Ivanov [et al.]
Уровень набора: Crystal Growth & DesignЯзык: английский.Страна: .Резюме или реферат: 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..Примечания о наличии в документе библиографии/указателя: [References: 5 tit.].Тематика: электронный ресурс | труды учёных ТПУ | синтез | рентгеновские исследования | галогены | энергетические характеристики | электростатические потенциалы Ресурсы он-лайн:Щелкните здесь для доступа в онлайнTitle screen
[References: 5 tit.]
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.
Российский фонд фундаментальных исследований 19-33-90059
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