Umakoshi Keisuke, Kojima Takashi, Saito Keizo, Akatsu Seiji, Onishi Masayoshi, Ishizaka Shoji, Kitamura Noboru, Nakao Yoshihide, Sakaki Shigeyoshi, Ozawa Yoshiki
Department of Applied Chemistry, Faculty of Engineering, Nagasaki University, Nagasaki, Japan.
Inorg Chem. 2008 Jun 16;47(12):5033-5. doi: 10.1021/ic702310t. Epub 2008 May 6.
The platinum dimer and heteropolynuclear platinum complexes of 3,5-dimethylpyrazolate, [Pt2M4(mu-Me2pz)8] [M = H (1), Ag (2), Cu (3)], were synthesized and structurally characterized. They exhibit yellow, sky-blue, and orange luminescence, respectively, in the solid state. The absorption bands of 2 and 3 are mainly assigned to the combination of the metal-metal-to-ligand charge-transfer and [Pt2 --> Pt2M4] transitions by the time-dependent density functional theory (DFT) method. DFT calculations also indicate that the emissive states of 2 and 3 are 3[Pt2 --> Pt2Ag4] and 3[Cu(d) --> Pt2Cu4], respectively.
合成并表征了3,5-二甲基吡唑酸根的铂二聚体和异多核铂配合物[Pt2M4(μ-Me2pz)8] [M = H (1), Ag (2), Cu (3)]。它们在固态下分别呈现黄色、天蓝色和橙色发光。通过含时密度泛函理论(DFT)方法,配合物2和3的吸收带主要归因于金属-金属到配体的电荷转移和[Pt2→Pt2M4]跃迁的组合。DFT计算还表明,配合物2和3的发射态分别为3[Pt2→Pt2Ag4]和3[Cu(d)→Pt2Cu4]。