Aryl-Aryl Interactions in (Aryl-Perhalogenated) 1,2-Diaryldisilanes

被引：18

作者：

Linnemannstoens, Marvin ^{[1
]}

Schwabedissen, Jan ^{[2
]}

Neumann, Beate ^{[1
]}

Stammler, Hans-Georg ^{[1
]}

Berger, Raphael J. F. ^{[2
]}

Mitzel, Norbert W. ^{[1
]}

机构：

[1] Univ Bielefeld, Fak Chem, Lehrstuhl Anorgan Chem & Strukturchem, Univ Str 25, D-33615 Bielefeld, Germany

[2] Paris Lodron Univ Salzburg, Chem & Physik Mat, Jakob Haringer Str 2a, A-5020 Salzburg, Austria

来源：

CHEMISTRY-A EUROPEAN JOURNAL | 2020年 / 26卷 / 10期

关键词：

bridged arenes; dispersion; halogenated arenes; inter; intramolecular pi-stacking; solid-state structures; GAUSSIAN-BASIS SETS; PI-PI INTERACTIONS; MOLECULAR-STRUCTURE; ELECTRON-DIFFRACTION; GAS-PHASE; LONDON DISPERSION; BENZENE DIMER; CONFORMATIONAL-ANALYSIS; STACKING INTERACTIONS; VIBRATIONAL-SPECTRA;

D O I：

10.1002/chem.201905727

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Three 1,2-diaryltetramethyldisilanes X5C6-(SiMe2)(2)-C6X5 with two C6H5, C6F5, or C6Cl5 groups were studied concerning the importance of London dispersion driven interactions between their aryl groups. They were prepared from 1,2-dichlorotetramethyldisilane by salt elimination. Their structures were determined in the solid state by X-ray diffraction and for free molecules by gas electron-diffraction. The solid-state structures of the fluorinated and chlorinated derivatives are dominated by aryl-aryl interactions. Unexpectedly, Cl5C6-(SiMe2)(2)-C6Cl5 exists exclusively as an eclipsed syn-conformer in the gas phase with strongly distorted Si-C6Cl5 units due to strong intramolecular interactions. In contrast, F5C6-(SiMe2)(2)-C6F5 reveals weaker interactions. The contributions to the total interaction energy were analyzed by SAPT calculations.

引用

页码：2169 / 2173

页数：5

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