Two zinc(II) halide complexes of 4-azabenzimidazole (4AB), [Zn-2(4AB)(4)Cl-2]Cl-2 and [Zn-2(4AB)(4)Br-2]Br-2, have been synthesized for the first time and characterized by elemental analysis, FT-IR (mid IR, far IR), Raman spectra, and DFT calculations. For the zinc chloride complex, H-1 and C-13 NMR spectra are also presented. The DFT calculations have been carried out at the B3LYP/6-31G(d) level. The optimized structures were resulted in dinuclear paddlewheel-like geometries around the zinc atoms. The ligands are coordinated to the metal centers in bidentate fashion. (C) 2013 Elsevier B.V. All rights reserved.