Sodium 4-nitrophenolate 4-nitrophenol dihydrate crystal: a new herringbonestructure for quadratic nonlinear optics

Sodium 4-nitrophenolate 4-nitrophenol dihydrate is a new nonlinear optical crystal of C2 monoclinic symmetry composed of two distinct organic chromoph ores of respective calculated molecular hyperpolarisabilities beta(xxx),xx = 18.2 x 10(-30) and 5.2 x 10-30 esu. The chromophores are organised in her ringbone motifs along inorganic: chains of NaO6 edge shared octahedra. A sh ort H-bond network assembles the herringbone motifs. A-remarkable feature i s the unique proton shared between the two chromophores respecting the twof old symmetry; The structure is isotypic with that of the magnesium bis(4-ni trophenolate) dihydrate. Structural analogies with other known metal nitrop henolates are pointed but and the nonlinear optical efficiency is discussed .