Synthesis, Crystal Structure, Theoretical Study, Thermal Behavior, and Luminescence Property of A Bromide-Bridged Silver(I) Complex with 4,4'-Bipyridine

摘要

The dinuclear silver(I) complex [{(PPh_3)Ag(μ_2-Br)}_2(μ_2- bpy)]_n (1) (PPh_3 = triphenylphosphine, bpy = 4,4'-bipyridine) was synthesized and characterized by elemental analysis, 1H NMR, MS, infrared spectroscopy, X-ray single crystal analysis, thermogravimetric and fluorescent analysis. The complex crystallizes in the triclinic system with space group P1-bar [a = 9.2012(18) ?, b = 9.6907(19) ?, c = 13.134(3) ?, α = 104.77(3)°, β = 109.41(3)°, γ = 92.57(3)°, V = 1057.2(4) ?3, Z = 2]. The central unit of complex 1 consists of a [Ag_2Br_2] core and the Ag···Ag distance in the [Ag_2Br_2] core is 3.102(2) ?, supporting the Ag···Ag interaction. Complex 1 exhibits an interesting one-dimensional zigzag chain structure. Density functional theory and time-dependent density functional theory calculations at the B3LYP/ LanL2DZ*+6-31G* level were performed on 1 to rationalize its experimental absorption spectra. Fluorescent analysis reveals that complex 1 exhibits intense luminescence in ethanol solution at room temperature.