Max-Planck-Institut für Chemische Physik fester Stoffe, Nöthnitzer Strasse 40, 01187 Dresden, Germany.
J Am Chem Soc. 2010 Oct 27;132(42):14745-7. doi: 10.1021/ja106568t.
The intermetallic compounds Pd(3)Ga(7), PdGa, and Pd(2)Ga are found to be highly selective semihydrogenation catalysts for acetylene outperforming established systems. The stability of the crystal and electronic structure under reaction conditions allows the direct relation of structural and catalytic properties and a knowledge-based development of new intermetallic catalyst systems. In the crystal structure of PdGa palladium is exclusively surrounded by gallium atoms. The alteration of the Pd coordination in PdGa leads to a strong modification of the electronic structure around the Fermi level in comparison to elemental Pd. Electronic modification and isolation of active sites causes the excellent catalytic semihydrogenation properties.
发现金属间化合物 Pd(3)Ga(7)、PdGa 和 Pd(2)Ga 是乙炔选择加氢的高效催化剂，优于已建立的体系。反应条件下晶体和电子结构的稳定性允许直接关联结构和催化性能，并基于知识开发新的金属间催化剂体系。在 PdGa 的晶体结构中，钯原子完全被镓原子包围。与元素钯相比，PdGa 中 Pd 配位数的改变导致费米能级附近电子结构的强烈改变。电子修饰和活性位的隔离导致了优异的催化选择加氢性能。
