RT Journal Article
T1 Enantiospecific cis−trans Isomerization in Chiral Fulleropyrrolidines:Hydrogen-Bonding Assistance in the Carbanion Stabilization in H2O@C60
A1 Maroto, Enrique
A1 Mateos, Jaime
A1 García Borràs, Marc
A1 Osuna, Silvia
A1 Filippone, Salvatore
A1 Herranz, M.Angeles
A1 Murata, Yasujiro
A1 Solà, Miquel
A1 Martín, Nazario
AB 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.
PB ACS
SN 1520-5126
YR 2015
FD 2015-01
LK https://hdl.handle.net/20.500.14352/35074
UL https://hdl.handle.net/20.500.14352/35074
LA eng
NO Unión Europea. FP7
NO European Research Council
NO Comunidad de Madrid
NO Ministerio de Economía y Competitividad (MINECO)
NO Generalitat de Catalunya
DS Docta Complutense
RD 8 abr 2025