Predictive energetic tuning of C-Nucleophiles for the electrochemical capture of carbon dioxide

Summary: This work maps the thermodynamics of electrochemically generated C-nucleophiles for reactive capture of CO2. We identify a linear relationship between the pKa, the reduction potential of a protonated nucleophile (Ered), and the nucleophile’s free energy of CO2 binding (ΔGbind). Through syne...

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Detalles Bibliográficos

Autores principales:	Haley A. Petersen, Abdulaziz W. Alherz, Taylor A. Stinson, Chloe G. Huntzinger, Charles B. Musgrave, Oana R. Luca
Formato:	Artigo
Lenguaje:	Inglês
Publicado:	Elsevier 2022-04-01
Colección:	iScience
Materias:	Chemistry Theoretical chemistry Electrochemistry Computational chemistry Applied chemistry
Acceso en línea:	http://www.sciencedirect.com/science/article/pii/S258900422200267X
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