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Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations

Abstract

The reaction of silicon disulfide with alkylphenols leads to tetraphenoxysilane, cyclodisilthiane and silanethiol. The products of the reaction of silicon disulfide with phenols are characterized by FT-IR, NMR, X-ray diffraction and DFT calculations. The intramolecular interactions in the compounds are mainly XH---π (X = C, S) whereas the intermolecular interactions are either very weak CH---π/CH---O contacts found in aryloxysilane or electrostatic dipole–dipole attraction in cyclodisilthiane and silanethiol. The S–H---π interactions in the obtained silanethiol are analyzed with the use of DFT/GGA BLYP-D XC potentials.

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Category:
Articles
Type:
artykuł w czasopiśmie wyróżnionym w JCR
Published in:
JOURNAL OF MOLECULAR STRUCTURE no. 1054-1055, pages 359 - 366,
ISSN: 0022-2860
Language:
English
Publication year:
2013
Bibliographic description:
Jabłońska A., Ponikiewski Ł., Ejsmont K., Herman A., Dołęga A.: Syntheses, spectroscopic and structural properties of phenoxysilyl compounds: X-ray structures, FT-IR and DFT calculations// JOURNAL OF MOLECULAR STRUCTURE. -Vol. 1054-1055, (2013), s.359-366
DOI:
Digital Object Identifier (open in new tab) 10.1016/j.molstruc.2013.09.058
Verified by:
Gdańsk University of Technology

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