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Ab initio/GIAO-CCSD(T) calculated 13C-11B NMR chemical shift relationships in isoelectronic hypercoordinate carbonium and boronium as well as carbenium and borenium ions.
- Source :
-
The journal of physical chemistry. A [J Phys Chem A] 2013 Jun 06; Vol. 117 (22), pp. 4664-8. Date of Electronic Publication: 2013 May 22. - Publication Year :
- 2013
-
Abstract
- Good linear correlations between GIAO-CCSD(T) calculated (11)B NMR chemical shifts of hypercoordinate boronium 1-6b and borenium 7-9b ions and (13)C NMR chemical shifts of the corresponding isoelectronic carbonium 1-6a and carbenium 7-9a ions, respectively, were found.
Details
- Language :
- English
- ISSN :
- 1520-5215
- Volume :
- 117
- Issue :
- 22
- Database :
- MEDLINE
- Journal :
- The journal of physical chemistry. A
- Publication Type :
- Academic Journal
- Accession number :
- 23656357
- Full Text :
- https://doi.org/10.1021/jp400754j