London dispersion-driven hetero-aryl-aryl interactions in 1,2-diaryldisilanes

Non-covalent aryl-aryl interactions for the molecular structures of three 1,2-diaryltetramethyldisilanes X 5 C 6 -(SiMe 2 ) 2 -C 6 Y 5 (X ≠ Y; X, Y = H, F, Cl) were studied by single crystal X-ray and gas electron diffraction as well as by SAPT calculations. Aryl-aryl interactions cause all to adopt...

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Bibliographic Details
Published in:Chemical communications (Cambridge, England) England), 2020-02, Vol.56 (15), p.2252-2255
Main Authors: Linnemannstöns, Marvin, Schwabedissen, Jan, Schultz, Aaron A, Neumann, Beate, Stammler, Hans-Georg, Berger, Raphael J. F, Mitzel, Norbert W
Format: Article
Language:English
Subjects:
Aromatic compounds
Crystallography
Electron diffraction
Mathematical analysis
Molecular structure
Single crystals
Vapor phases
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Summary:Non-covalent aryl-aryl interactions for the molecular structures of three 1,2-diaryltetramethyldisilanes X 5 C 6 -(SiMe 2 ) 2 -C 6 Y 5 (X ≠ Y; X, Y = H, F, Cl) were studied by single crystal X-ray and gas electron diffraction as well as by SAPT calculations. Aryl-aryl interactions cause all to adopt exclusively rather untypical eclipsed syn -conformers in the gas phase, and C 6 F 5 -(SiMe 2 ) 2 -C 6 Cl 5 also in the solid state. 1,2-Diaryltetramethyldisilanes X 5 C 6 -(SiMe 2 ) 2 -C 6 Y 5 (X ≠ Y; X, Y = H, F, Cl) adopt counterintuitive dispersion-driven syn -conformations in the crystal and the gas phase, determined by X-ray and electron diffraction.
ISSN:1359-7345
1364-548X
DOI:10.1039/c9cc09851h