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Diastereotopic splitting in the 13C NMR spectra of sulfur homofullerenes and methanofullerenes with chiral fragments.
- Source :
-
Magnetic Resonance in Chemistry . Jan2014, Vol. 52 Issue 1/2, p3-9. 7p. - Publication Year :
- 2014
-
Abstract
- Using gauge-invariant atomic orbital PBE/3ζ quantum chemistry approach, 13C NMR chemical shifts and diastereotopic splittings of sp2 fullerenyl carbons of a number of sulfur homofullerenes and methanofullerenes have been predicted and discussed. An anisochrony of fullerene carbons is caused by a chiral center of attached moieties. Clearly distinguishable diastereotopic pairs (from 8 to 11) of fullerenyl carbons of homofullerenes were observed. Unambiguous assignments of 13C NMR chemical shifts were performed, and diastereotopic splittings of methanofullerenes were observed for α, β and γ to a functionalization site. Copyright © 2013 John Wiley & Sons, Ltd. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 07491581
- Volume :
- 52
- Issue :
- 1/2
- Database :
- Academic Search Index
- Journal :
- Magnetic Resonance in Chemistry
- Publication Type :
- Academic Journal
- Accession number :
- 93000355
- Full Text :
- https://doi.org/10.1002/mrc.4027