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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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Authors (5)
-
Krzysztof Ejsmont
- Wydział Chemii Uniwersytet Opolski Katedra Krystalografii
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Details
- 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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