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Título:
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Enantiospecific cis?trans Isomerization in Chiral Fulleropyrrolidines:Hydrogen-Bonding Assistance in the Carbanion Stabilization in H2O@C60
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Autores:
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Maroto, Enrique ;
Mateos, Jaime ;
García Borràs, Marc ;
Osuna, Silvia ;
Filippone, Salvatore ;
Herranz, M.Angeles ;
Murata, Yasujiro ;
Solà, Miquel ;
Martín, Nazario
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Tipo de documento:
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texto impreso
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Editorial:
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ACS, 2015-01
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Dimensiones:
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application/pdf
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Nota general:
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info:eu-repo/semantics/openAccess
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Idiomas:
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Palabras clave:
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Estado = Publicado
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Materia = Ciencias: Química: Química orgánica
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Tipo = Artículo
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Resumen:
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The stereochemical outcome of cis?trans isomerization of optically pure [60], [70], and endohedral H2O@C60 fulleropyrrolidines reveals that the electronic nature of substituents, fullerene size, and surprisingly the incarcerated water molecule plays a crucial role in this rearrangement process. Theoretical DFT calculations are in very good agreement with the experimental findings. On the basis of the experimental results and computational calculations, a plausible reaction mechanism involving the hydrogen-bonding assistance of the inner water molecule in the carbanion stabilization of endofullerene is proposed.
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En línea:
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https://eprints.ucm.es/id/eprint/35970/1/JACS-2015-137-1190-preprint.pdf
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