2024-03-29T04:36:14Zhttp://digital.csic.es/dspace-oai/requestoai:digital.csic.es:10261/654732021-10-27T11:57:18Zcom_10261_81com_10261_5col_10261_334
2013-01-30T12:00:30Z
urn:hdl:10261/65473
13C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid state
García, M. A.
Claramunt, Rosa M.
Solcan, T.
Milata, V.
Alkorta, Ibon
Elguero, José
The 13C [hexadeutero-dimethylsulfoxide (DMSO-d6), hexamethyl-phosphoramide (HMPA)-d18 and solid-state] and 15N (solid-state) NMR spectra of six C-aminobenzimidazoles have been recorded. The tautomerism of 4(7)-aminobenzimidazoles and 5(6)- aminobenzimidazoles has been determined and compared with B3LYP/6-311++G(d,p) calculations confirming the clear predominance of the 4-amino tautomer and the slight preference for the 6-amino tautomer. GIAO-calculated absolute shieldings compare well with experimental chemical shifts. Copyright © 2008 John Wiley & Sons, Ltd.
2013-01-30T12:00:30Z
2013-01-30T12:00:30Z
2009
2013-01-30T12:00:30Z
artículo
Magnetic Resonance in Chemistry 47: 100- 104 (2009)
http://hdl.handle.net/10261/65473
10.1002/mrc.2357
eng
closedAccess
John Wiley & Sons