Mossbauer spectroscopic and computational investigation of an iron cyclopentadienone complex

Ikram Yagoub (1) , Martin Clémancey (1) , Pierre-Alain Bayle (2) , Adrien Quintard (3) , Guillaume Delattre (1) , Geneviève Blondin (1) , Amélie Kochem (1)

1 PMB - Physiochimie des Métaux
2 MEM - Modélisation et Exploration des Matériaux
3 ISM2 - Institut des Sciences Moléculaires de Marseille

(Cyclopentadienone)iron carbonyl complexes have recently received particular attention for their use as catalysts in hydrogenation or transfer hydrogenation reactions including the N-alkylation of amines with alcohols. This is due to their easy synthesis from simple and cheap materials, air and water stabilities, and the crucial metal-ligand cooperation giving rise to unique catalytic properties. Here, we report a Mossbauer spectroscopic and computational investigation of such a complex and its corresponding activated species for dehydrogenation and hydrogenation reactions. This study affords a deeper understanding of the species formed by the reaction with Me$_3$NO and their distribution upon the added amount of an oxidant.

Mots clés: (cyclopentadienone)iron carbonyl complexes; Mössbauer spectroscopy; computational study; chemical activation; iron catalysis

Domaines: Chimie de coordination; Chimie théorique et/ou physique; Catalyse

Ikram Yagoub, Martin Clémancey, Pierre-Alain Bayle, Adrien Quintard, Guillaume Delattre, et al.. Mossbauer spectroscopic and computational investigation of an iron cyclopentadienone complex. Inorganic Chemistry, 2021, 60 (15), pp.11192-11199. ⟨10.1021/acs.inorgchem.1c01155⟩. ⟨hal-03326124⟩