13C and 15N NMR spectra of aminobenzimidazoles in solution and in the solid state
2008 John Wiley & Sons, Ltd.
| Veröffentlicht in: | Magnetic resonance in chemistry : MRC. - 1985. - 47(2009), 2 vom: 01. Feb., Seite 100-4 |
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| 1. Verfasser: | |
| Weitere Verfasser: | , , , , |
| Format: | Online-Aufsatz |
| Sprache: | English |
| Veröffentlicht: |
2009
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| Zugriff auf das übergeordnete Werk: | Magnetic resonance in chemistry : MRC |
| Schlagworte: | Journal Article |
| Zusammenfassung: | 2008 John Wiley & Sons, Ltd. 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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| Beschreibung: | Date Completed 27.02.2009 Date Revised 12.01.2009 published: Print Citation Status PubMed-not-MEDLINE |
| ISSN: | 1097-458X |
| DOI: | 10.1002/mrc.2357 |