Diaryliodonium Tetrachloroplatinates(II): Recognition of a Trifurcated Metal-Involving [mu]3-I···(Cl,Cl,Pt) Halogen Bond; Crystal Growth & Design; Vol. 21, iss. 9
| Источник: | Crystal Growth & Design Vol. 21, iss. 9.— 2021.— [Р. 5360-5372] |
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| Корпоративные авторы: | , |
| Другие авторы: | , , , , , , , , |
| Примечания: | 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. |
| Язык: | английский |
| Опубликовано: |
2021
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| Предметы: | |
| Online-ссылка: | https://doi.org/10.1021/acs.cgd.1c00654 |
| Формат: | Электронный ресурс Статья |
| Запись в KOHA: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=666314 |