Dehydrogenation of Formic Acid to CO<sub>2</sub> and H<sub>2</sub> by Manganese(I)–Complex: Theoretical Insights for Green and Sustainable Route

Dehydrogenation of Formic Acid to CO<sub>2</sub> and H<sub>2</sub> by Manganese(I)–Complex: Theoretical Insights for Green and Sustainable Route

In this work, a detailed computational study on a recently synthetized Mn(I)-dependent complex [(<sup>tBu</sup>PNNOP)Mn(CO)<sub>2</sub>]<sup>+</sup> is reported. This species promotes the dehydrogenation of formic acid to carbon dioxide and hydrogen. The here prop...

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Bibliographic Details
Main Authors: Tiziana Marino, Mario Prejanò
Format: Article
Language:English
Published: MDPI AG 2021-01-01
Series:Catalysts
Subjects:
CO<sub>2</sub>
H<sub>2</sub>
formic acid
transition state
DFT
Online Access:https://www.mdpi.com/2073-4344/11/1/141

Internet

https://www.mdpi.com/2073-4344/11/1/141

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