Collaborative enhancement from Pb2+ and F- in Pb2(NO3)2(H2O)F2 generates the largest second harmonic generation effect among nitrates

The first metal nitrate fluoride nonlinear optical material, Pb-2(NO3)(2)-(H2O)F-2, was synthesized with the largest second harmonic generation (SHG) effect (12 x KH2PO4) among nitrates. Theoretical calculations revealed the synergistic effect of [NO3](-), lone pair electrons in Pb2+, and F- for the SHG effect. The F- also promoted the blue-shift of the ultraviolet cut-off edge.