Taming a silent killer: uncovering the role of excited states and uncoordinated selenium moieties in the CO photorelease mechanism of manganese( i ) carbonyl compounds

2025/01/01 by Vinícius A. Glitz, Daniele C. Durigon, André L. Amorim +6 · 1 voice
Energy · Chemistry · Physics and Astronomy · #CO2 Reduction Techniques and Catalysts #Photochemistry and Electron Transfer Studies #Advanced Chemical Physics Studies

paper · doi:10.1039/d5qi00162e

openalex publication_date 2025/01/01 · openalex created_date 2025/04/02 · openalex updated_date 2026/07/02

Abstract

This study investigates CO photorelease using experimental and computational approaches, with organoselenium ligands featuring a free selenium moiety capable of stabilizing intermediates in situ .

Citations

• A consistent and accurateab initioparametrization of density functional dispersion correction (DFT-D) for the 94 elements H-Pu
• Effect of the damping function in dispersion corrected density functional theory
• Density-functional thermochemistry. III. The role of exact exchange
• Ab Initio Calculation of Vibrational Absorption and Circular Dichroism Spectra Using Density Functional Force Fields

Discussions

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