Sc(3)CH@C(80): selective (13)C enrichment of the central carbon atom†

Sc(3)CH@C(80) is synthesized and characterized by (1)H, (13)C, and (45)Sc NMR. A large negative chemical shift of the proton, −11.73 ppm in the I(h) and −8.79 ppm in the D(5h) C(80) cage isomers, is found. (13)C satellites in the (1)H NMR spectrum enabled indirect determination of the (13)C chemical...

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Detalles Bibliográficos
Autores principales: Junghans, Katrin, Rosenkranz, Marco, Popov, Alexey A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: 2016
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4902131/
https://www.ncbi.nlm.nih.gov/pubmed/27109443
http://dx.doi.org/10.1039/c5cc10025a
Descripción
Sumario:Sc(3)CH@C(80) is synthesized and characterized by (1)H, (13)C, and (45)Sc NMR. A large negative chemical shift of the proton, −11.73 ppm in the I(h) and −8.79 ppm in the D(5h) C(80) cage isomers, is found. (13)C satellites in the (1)H NMR spectrum enabled indirect determination of the (13)C chemical shift for the central carbon at 173 ± 1 ppm. Intensity of the satellites allowed determination of the (13)C content for the central carbon atom. This unique possibility is applied to analyze the cluster/cage (13)C distribution in mechanistic studies employing either (13)CH(4) or (13)C powder to enrich Sc(3)CH@C(80) with (13)C.

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