Eizawa Aya, Arashiba Kazuya, Tanaka Hiromasa, Konomi Asuka, Yoshizawa Kazunari, Nishibayashi Yoshiaki
Department of Applied Chemistry, School of Engineering, The University of Tokyo, Hongo, Bunkyo-ku, Tokyo, 113-8656, Japan.
Daido University, Takiharu-cho, Minami-ku, Nagoya, 457-8530, Japan.
Dalton Trans. 2023 Oct 10;52(39):14012-14016. doi: 10.1039/d3dt02887a.
Dimolybdenum complexes bearing 3,3'''-(1,1':3',1'':3'',1'''-quaterphenylene)-bridged pyridine-based PNP-type pincer ligand are designed and prepared according to DFT calculations on the cleavage step of dinitrogen-bridged dimolybdenum complexes bearing polyphenylene-bridged pyridine-based PNP-type pincer ligands. The dimolybdenum complexes are found to work as effective catalysts toward ammonia formation from dinitrogen with samarium diiodide as a reductant and water as a proton source under ambient reaction conditions.
基于对含聚亚苯基桥联吡啶基PNP型钳形配体的二氮桥联二钼配合物裂解步骤的密度泛函理论计算，设计并制备了含3,3'''-(1,1':3',1'':3'',1'''-四亚苯基)-桥联吡啶基PNP型钳形配体的二钼配合物。发现在环境反应条件下，以二碘化钐作为还原剂、水作为质子源时，这些二钼配合物可作为从二氮生成氨的有效催化剂。
