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http://hdl.handle.net/10261/103276
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Campo DC | Valor | Lengua/Idioma |
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dc.contributor.author | Pinto, Joana | - |
dc.contributor.author | Silva, Vera L. M. | - |
dc.contributor.author | Silva, Artur M. S. | - |
dc.contributor.author | Claramunt, Rosa M. | - |
dc.contributor.author | Sanz, Dionisia | - |
dc.contributor.author | Torralba, M. Carmen | - |
dc.contributor.author | Torres, M. Rosario | - |
dc.contributor.author | Reviriego, Felipe | - |
dc.contributor.author | Alkorta, Ibon | - |
dc.contributor.author | Elguero, José | - |
dc.date.accessioned | 2014-10-13T13:21:00Z | - |
dc.date.available | 2014-10-13T13:21:00Z | - |
dc.date.issued | 2013 | - |
dc.identifier | doi: 10.1002/mrc.3926 | - |
dc.identifier | issn: 0749-1581 | - |
dc.identifier | e-issn: 1097-458X | - |
dc.identifier.citation | Magnetic Resonance in Chemistry 51: 203- 221 (2013) | - |
dc.identifier.uri | http://hdl.handle.net/10261/103276 | - |
dc.description.abstract | The structures of three azines derived from 2-formylimidazole, 4(5)-formylimidazole, and 4(5)-formyl-5(4)-methylimidazole have been determined in solution and in the solid state. Density Functional Theory (DFT) Polarizable Continuum Model (PCM) calculations (geometries, energies, and chemical shifts), NMR [solution and cross polarization magic-angle spinning (CPMAS)], and X-ray crystallography [azine of 4(5)-formylimidazole] have been used. The configuration around the central C = N bonds has been determined and some insights about prototropic tautomerism and conformation have been gained. | - |
dc.publisher | John Wiley & Sons | - |
dc.rights | closedAccess | - |
dc.subject | HMPA-d18 | - |
dc.subject | PCM calculations | - |
dc.subject | DFT calculations | - |
dc.subject | CPMAS | - |
dc.subject | 15N | - |
dc.subject | Imidazoles | - |
dc.subject | Azines | - |
dc.title | The structure of azines derived from C-formyl-1H-imidazoles in solution and in the solid state: Tautomerism, configurational and conformational studies | - |
dc.type | artículo | - |
dc.identifier.doi | 10.1002/mrc.3926 | - |
dc.date.updated | 2014-10-13T13:21:00Z | - |
dc.description.version | Peer Reviewed | - |
dc.language.rfc3066 | eng | - |
dc.type.coar | http://purl.org/coar/resource_type/c_6501 | es_ES |
item.cerifentitytype | Publications | - |
item.grantfulltext | none | - |
item.openairetype | artículo | - |
item.fulltext | No Fulltext | - |
item.openairecristype | http://purl.org/coar/resource_type/c_18cf | - |
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accesoRestringido.pdf | 15,38 kB | Adobe PDF | Visualizar/Abrir |
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