13C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid state

2008 John Wiley & Sons, Ltd.

Bibliographische Detailangaben
Veröffentlicht in:Magnetic resonance in chemistry : MRC. - 1985. - 47(2009), 2 vom: 01. Feb., Seite 100-4
1. Verfasser: Angeles García, M (VerfasserIn)
Weitere Verfasser: Claramunt, Rosa M, Solcan, Tomás, Milata, Viktor, Alkorta, Ibon, Elguero, José
Format: Online-Aufsatz
Sprache:English
Veröffentlicht: 2009
Zugriff auf das übergeordnete Werk:Magnetic resonance in chemistry : MRC
Schlagworte:Journal Article
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520 |a The (13)C [hexadeutero-dimethylsulfoxide (DMSO-d(6)), hexamethyl-phosphoramide (HMPA)-d(18)and solid-state] and (15)N (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 
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700 1 |a Claramunt, Rosa M  |e verfasserin  |4 aut 
700 1 |a Solcan, Tomás  |e verfasserin  |4 aut 
700 1 |a Milata, Viktor  |e verfasserin  |4 aut 
700 1 |a Alkorta, Ibon  |e verfasserin  |4 aut 
700 1 |a Elguero, José  |e verfasserin  |4 aut 
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