Mechanistic study of the [(dpp-bian)Re(CO)3Br] electrochemical reduction using in situ EPR spectroscopy and computational chemistry

Cyclic voltammetry, Electrochemical reduction, Electronic structure of intermediates, Full-electron relativistic DFT, In situ EPR, Thermodynamics of elementary reactions, EXCITED-STATE, TRANSITION-METAL-COMPLEXES, PHOTOCATALYTIC REDUCTION, NON-INNOCENT LIGAND, CORRELATION-ENERGY, REDOX-ACTIVE LIGANDS, GENERALIZED GRADIENT APPROXIMATION, ZETA VALENCE QUALITY, CARBON-DIOXIDE, GAUSSIAN-BASIS SETS

ID: 12214634