2026-08-18T04:52:36Zhttps://uvadoc.uva.es/oai/request

oai:uvadoc.uva.es:10324/595772023-05-11T19:00:37Zcom_10324_1186com_10324_931com_10324_894col_10324_1404

γ-Agostic interactions in (MesCCC)Fe–Mes(L) complexes Najera, Daniel C. Peñas de Frutos, Marconi Nicolás García Melchor, Max Fout, Alison R. Producción Científica 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. 2023-05-11T12:13:32Z 2023-05-11T12:13:32Z 2022 info:eu-repo/semantics/article Chemical Communications, 2022, 58, 9626-9629. 1359-7345 https://uvadoc.uva.es/handle/10324/59577 10.1039/d2cc03260k 9626 69 9629 Chemical Communications 58 1364-548X eng https://pubs.rsc.org/en/content/articlelanding/2022/cc/d2cc03260k info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by-nc-nd/4.0/ © 2022 The Royal Society of Chemistry Attribution-NonCommercial-NoDerivatives 4.0 Internacional Royal Society of Chemistry SI