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DOI: 10.1039/A900613C (Paper) Reference Section for: J. Mater. Chem., 1999, 9, 1471-1479

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

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Meiyappan Muthuraman, Muriel Bagieu-Beucher, René Masse, Jean-François Nicoud and Gautam R. Desiraju

Abstract

Sodium 4-nitrophenolate 4-nitrophenol dihydrate is a new nonlinear optical crystal of C2 monoclinic symmetry composed of two distinct organic chromophores of respective calculated molecular hyperpolarisabilities βxxx=18.2×10–30 and 5.2×10–30 esu. The chromophores are organised in herringbone motifs along inorganic chains of NaO6 edge shared octahedra. A short H-bond network assembles the herringbone motifs. A remarkable feature is the unique proton shared between the two chromophores respecting the twofold symmetry. The structure is isotypic with that of the magnesium bis(4-nitrophenolate) dihydrate. Structural analogies with other known metal nitrophenolates are pointed out and the nonlinear optical efficiency is discussed.

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