Intermetallic Compounds for the Chemoselective Hydrogenation of α,β-Unsaturated Aldehydes

α，β-不饱和醛选择性加氢制烯丙醇是精细化工工业生产中的关键步骤，也是基础研究中研究最广泛的化学选择性加氢反应之一。这个中德合作项目旨在为α，β-不饱和丁醛的气相和液相加氢制备高活性和化学选择性的金属间催化剂。我们建议建立本体金属间化合物的固有稳定性和催化性能，并随后将后者转移到纳米结构的负载型金属间催化剂上。在非支撑和支撑状态下使用相同的金属间化合物使我们能够研究支撑的影响，从而建立可靠的结构-性能关系。实验研究得到了原位/operando振动光谱和量子化学计算的证实。这将使我们能够建立反应机理，并将其与实验得到的巴豆醛加氢反应动力学进行比较。该项目的实施将为新型金属间催化剂的可控合成及其在α，β-不饱和醛多相催化化学选择性加氢制烯丙醇中的应用奠定科学基础。

The selective hydrogenation of α,β-unsaturated aldehydes to allylic alcohols is a key step in the industrial production of fine chemicals, and is also one of the most widely studied chemoselective hydrogenation reactions in fundamental research. This Sino-German joint project aims to achieve highly active and chemoselective intermetallic catalysts for the gas- and liquid-phase hydrogenation of the α,β-unsaturated crotonaldehyde. We propose to establish the intrinsic stabilities and catalytic properties of bulk intermetallic compounds and subsequently transfer the latter to nanostructured, supported intermetallic catalysts. Using the same intermetallic compounds in an unsupported and supported state enables us to study support influences, and thus to establish reliable structure-property relationships. The experimental studies are corroborated by in situ/operando vibrational spectroscopy and quantum chemical calculations. This will bring us in the situation to set up the reaction mechanism and compare it to the experimentally obtained reaction kinetics of the crotonaldehyde hydrogenation. The implementation of the joint project will lay the scientific basis on the controllable synthesis of new intermetallic catalysts and their application in the heterogeneously catalyzed chemoselective hydrogenation of α,β-unsaturated aldehydes to allylic alcohols.