RT info:eu-repo/semantics/article
T1 γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes
A1 Najera, Daniel C.
A1 Peñas de Frutos, Marconi Nicolás
A1 García Melchor, Max
A1 Fout, Alison R.
K1 NMR resonance
K1 Resonancia magnética nuclear
K1 23 Química
AB Agostic interactions were observed in the bound mesityl group in a series of iron compounds bearing a bis(NHC) pincer CCC ligand. The L-type ligand on [(CCC)FeIIMes(L)] complexes influences the strength of the agostic interaction and is manifested in the upfield shift of the 1H NMR resonance for the mesityl methyl resonances. The nature of the interaction was further investigated by density functional theory calculations, allowing rationalization of some unexpected trends and proving to be a powerful predictive tool.
PB Royal Society of Chemistry
SN 1359-7345
YR 2022
FD 2022
LK https://uvadoc.uva.es/handle/10324/59577
UL https://uvadoc.uva.es/handle/10324/59577
LA eng
NO Chemical Communications, 2022, 58, 9626-9629.
NO Producción Científica
DS UVaDOC
RD 17-jul-2024