Institut für Technische und Makromolekulare Chemie, RWTH Aachen University, Worringerweg 2, 52074, Aachen, Germany.
ChemSusChem. 2020 Jan 9;13(1):126-130. doi: 10.1002/cssc.201902347. Epub 2019 Oct 21.
Mg(OH) 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 . Mg(LA) could be identified as a crucial intermediate in this reaction, as it undergoes faster conversion than the combination of LA and Mg(OH ) and regeneration of Mg(OH) through the conversion of Mg(LA) as a substrate. DFT calculations reveal that the energetic span of the reaction decreases from 46.6 kcal mol catalyzed with no cation to 43.6 kcal mol with [Mg(OH)] , confirming the facilitating effect of Mg(OH) .
译文：
在液相中将乳酸（LA）转化为 1,2-丙二醇的过程中，发现 Mg(OH) 的性能优于 Cu。在 513 K 和 5 MPa H 条件下，转化率达到 90%，选择性达到 98%。在该反应中，Mg(LA)可以被确定为一个关键中间体，因为它的转化速度比 LA 和 Mg(OH)的混合物快，并且通过将 Mg(LA)作为底物转化，再生了 Mg(OH)。DFT 计算表明，反应的能量跨度从无阳离子催化的 46.6 kcal mol 降低到[Mg(OH)]存在时的 43.6 kcal mol ，证实了 Mg(OH)的促进作用。
