Abstract

An inorganic-organic hybrid compound (H2DPA)2(SiF6) (1) constructed from the di(pyridine-4-yl)amine (DPA) ligands and octahedral SiF62− anions was presented. The protonated H2DPA cations and SiF62− anions are linked by the NH⋯F hydrogen bonds to give a one-dimensional (1D) helical chain, which is further linked by the NH⋯F hydrogen bonds to generate a three-dimensional (3D) framework featuring helical chains. Compound 1 crystallizes in an acentric space group and exhibits a phase-matchable second-harmonic-generation (SHG) response of 1.4 times that of potassium dihydrogen phosphate (1.4 × KDP). The nonlinear organic ligand with inherent dipole and the distorted [SiF6] octahedra, as well as the helical chains in a parallel packing mode contribute the SHG activity for 1.

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