Mg(OH)(2)‐Facilitated Liquid‐Phase Conversion of Lactic Acid into 1,2‐Propanediol over Cu: An Experimental and Theoretical Study

Mg(OH)(2) is found to exhibit superior performance in the liquid‐phase conversion of lactic acid (LA) into 1,2‐propanediol over Cu. A conversion of 90 % with a selectivity of 98 % is achieved at 513 K and 5 MPa H(2). Mg(LA)(2) could be identified as a crucial intermediate in this reaction, as it undergoes faster conversion than the combination of LA and Mg(OH(2)) and regeneration of Mg(OH)(2) through the conversion of Mg(LA)(2) as a substrate. DFT calculations reveal that the energetic span of the reaction decreases from 46.6 kcal mol(−1) catalyzed with no cation to 43.6 kcal mol(−1) with [Mg(OH)](+), confirming the facilitating effect of Mg(OH)(2).