Structural, spectroscopic and theoretical studies on 3,4,7,8-tetramethyl-1,10-phenantroline complex with picric acid

► We synthesized a novel complex of Me4phen⋅PA. ► The complex was studied using infrared spectroscopy and inelastic neutron scattering. ► The crystal structures at 100 K of pure Me4phen and Me4phen⋅PA was described. ► The molecular structure in the crystalline state was theoretically calculated.