Radical anions of hypervalent silicon compounds: 1-Substituted silatranes
Physical Chemistry Chemical Physics, ISSN: 1463-9076, Vol: 17, Issue: 19, Page: 12735-12746
2015
- 13Citations
- 8Captures
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Article Description
The first representatives of the radical anions of silatranes XSi(OCH2CH2)3N - organic derivatives of the pentacoordinate silicon atom (X = Ph, 1; p-NO2PhO, 2a; m-NO2PhO, 2b; o-NO2PhO, 2c) - were obtained and characterized by EPR spectroscopy. The structure of 1-•, 2a-•, 2b-•, and 2c-• in polar solvents (C-PCM and COSMO models) was studied at the UMP2 and UB3PW91 levels of theory. The variation of structural characteristics and pentacoordinate character of the silicon atom in 1, 2 upon the attachment of an additional electron to them is discussed. The experimental hyperfine coupling constants aN, aH and those calculated with the UTPSSh/IGLOIII and UB3LYP/N07D methods using the UB3PW91 geometry (taking into account an effect of the potassium cation in the case of 1-•) are in good mutual agreement.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=84929191436&origin=inward; http://dx.doi.org/10.1039/c4cp06046f; http://www.ncbi.nlm.nih.gov/pubmed/25905114; https://xlink.rsc.org/?DOI=C4CP06046F; http://xlink.rsc.org/?DOI=C4CP06046F; http://pubs.rsc.org/en/content/articlepdf/2015/CP/C4CP06046F; https://dx.doi.org/10.1039/c4cp06046f; https://pubs.rsc.org/en/content/articlelanding/2015/cp/c4cp06046f
Royal Society of Chemistry (RSC)
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