-Agostic interactions in (MesCCC)Fe-Mes(L) complexes.

abstract

• 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.

authors

• Fout, Alison

published proceedings

• Chem Commun (Camb)

author list (cited authors)

• Najera, D. C., Peas-Defrutos, M. N., Garca-Melchor, M., & Fout, A. R.

complete list of authors

• Najera, Daniel C||Peñas-Defrutos, Marconi N||García-Melchor, Max||Fout, Alison R

publisher

• Royal Society of Chemistry (RSC)  Publisher

published in

• Chemical Communications  Journal

keywords

• 34 Chemical Sciences
• 3402 Inorganic Chemistry

PubMed Central ID

• 35959650

Digital Object Identifier (DOI)

• 10.1039/d2cc03260k

start page

• 9626

end page

• 9629

volume

• 58

issue

• 69