Ligand Protonation Tunes Hydride-Transfer Thermochemistry in an Iron Metal-Ligand Cooperative Catalyst
Year: 2026
Type: preprint
Abstract: Cyclopentadienone iron complexes are established metal-ligand cooperative hydrogenation catalysts, yet their bifunctional reactivity complicates the independent evaluation of proton- and hydride-transfer thermodynamics. Here, room-temperature H 2 -splitting enables deconvolution of these contributions, affording a new anionic hydride with a hydricity of 39.0 kcal·mol -1 . Ligand protonation weakens hydride-donor strength by 10 kcal mol -1 , highlighting protonation-state control of reactivity in MLC catalysis.
Source: ChemRxiv
Author: Sergio Fernandez
Institution: Universitat de Girona
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: green
OpenAlex ID: W7222446937