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

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, 1 H NMR, MS, infrared spectroscopy, X‐ray single crystal analysis, thermogravimetric and fluorescent analysis. The complex crystallizes in the triclinic system with space group P $\bar{1}$ [ a = 9.2012(18) Å, b = 9.6907(19) Å, c = 13.134(3) Å, α = 104.77(3)°, β = 109.41(3)°, γ = 92.57(3)°, V = 1057.2(4) Å 3 , Z = 2]. The central unit of complex 1 consists of a [Ag 2 Br 2 ] core and the Ag ··· Ag distance in the [Ag 2 Br 2 ] core is 3.102(2) Å, 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.