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

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

Marvin Linnemannstöns, Jan Schwabedissen, Beate Neumann, Hans-Georg Stammler, Raphael J F Berger, Norbert W Mitzel

Chemistry. 2020 Feb 17;26(10):2169-2173.

PMID: 31859375

Abstract:

Three 1,2-diaryltetramethyldisilanes X5 C6 -(SiMe2 )2 -C6 X5 with two C6 H5 , C6 F5 , or C6 Cl5 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, Cl5 C6 -(SiMe2 )2 -C6 Cl5 exists exclusively as an eclipsed syn-conformer in the gas phase with strongly distorted Si-C6 Cl5 units due to strong intramolecular interactions. In contrast, F5 C6 -(SiMe2 )2 -C6 F5 reveals weaker interactions. The contributions to the total interaction energy were analyzed by SAPT calculations.

Chemicals Related in the Paper:

Catalog Number	Product Name	Structure	CAS Number	Price
AP4342614	1,2-Dichlorotetramethyldisilane		4342-61-4	Price

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