Mechanistic Investigations of the Synthesis of Lactic Acid from Glycerol Catalyzed by an Iridium–NHC Complex

In the present work, the reaction pathways and the origin of catalytic activity for the production of lactic acid from glycerol catalyzed by an iridium–heterocyclic carbene (Iridium-NHC) complex at 383.15 K were investigated by DFT study at the M06-D3/6-311++G (d, p)//SDD level. Compared to the nonc...

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Veröffentlicht in:	Processes 2022-04, Vol.10 (4), p.626
Hauptverfasser:	Chen, Shiyao, Xu, Shuguang, Ge, Chenyu, Hu, Changwei
Format:	Artikel
Sprache:	eng
Schlagworte:	Acids Biodiesel fuels Catalytic activity Chemical synthesis Dehydrogenation Dihydroxyacetone Electrostatic properties Energy Glycerol Hydration Hydrogen Iridium Isomerization Lactic acid
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