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Título

Essential versus accidental isochrony of diastereotopic nuclei in NMR spectroscopy

AutorAlkorta, Ibon ; Elguero, José
Palabras claveDiastereotopicity
Absolute shieldings
GIAO
Enantiotopicity
Isochrony
Anisochrony
Fecha de publicación2016
EditorSpringer
CitaciónStructural Chemistry 27: 671-679 (2016)
ResumenCompounds where a non-stereogenic sp atom (for instance the C atom of a benzene ring) is linked to a stereogenic sp atom (for instance CHFCl) have several conformations where two diastereotopic nuclei become isochronous. This also happens in some cases when the sp atom is non-stereogenic, the difference being related to the weighted value of the difference of absolute shieldings. The results here described seem to be in contradiction with experimental results pointing out that all diastereotopic nuclei are anisochronous. Two examples of typical diastereotopic nuclei involving C(sp )-C(sp ) bonds, a propane and an ethane, were also discussed.
Versión del editorhttp://dx.doi.org/10.1007/s11224-015-0607-7
URIhttp://hdl.handle.net/10261/140125
DOI10.1007/s11224-015-0607-7
Identificadoresdoi: 10.1007/s11224-015-0607-7
issn: 1040-0400
e-issn: 1572-9001
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