硫氰酸根作为配位体,其两个端原子都具有和过渡金属原子络合的能力。从软硬酸碱理论的角度看,氮原子比硫原子碱性更硬些,应更倾向于和硬酸性的金属络合。因此,一个金属原子究竟和硫氰酸根的哪一个端原子络合,成了判定其硬度的标志。本文的目的在于,进一步探明三价钼与硫氰酸根的络合方式,以及钼原子的配位构型。 Thiocyanate as a ligand, both terminal atoms have the ability to complex with transition metal atoms. From the perspective of the hard and soft acid-base theory, the nitrogen atom is more basic than the sulfur atom and should be more likely to complex with the hard-acid metal. Therefore, a metal atom and thiocyanate which terminal atoms complex, has become a sign of its hardness. The purpose of this paper is to further explore the complexation of trivalent molybdenum with thiocyanate and the coordination geometry of molybdenum atoms.