Unusual supramolecular assembly and nonlinear optical properties of l-histidini...

• Autor(es): Gomes, E. de Matos ; Rodrigues, V. H. ; Costa, M. M. R. ; Belsley, M. S. ; Cardoso, P. J. M. ; Gonçalves, C. F. ; Proença, F.
• Data: 2006
• Identificador Persistente: http://hdl.handle.net/10316/4396
• Origem: Estudo Geral - Universidade de Coimbra
• Assunto(s): Dicarboxylates; Hydrogen bonds; Molecular crystals; Supramolecular assemblies; Second-harmonic generation; Nonlinear optical materials
• Tipo de Documento: Artigo
• Idioma: Inglês

Descrição

A new nonlinear optical material, l-histidinium hydrogen malate, has been synthesized. The crystal structure was determined at 90 K by single-crystal X-ray diffraction in order to analyze its supramolecular structure. A new building block type has been found. The malate anions form head-to-side infinite chains parallel to [100], via O-H...O interactions, instead of the usual head-to-tail infinite chains found in other hydrogen malate salts. The l-histidine cations form chains parallel to [100] via N-H...O hydrogen bonds, with cations of adjacent chains in anti-parallel way. The compound shows a good optical second-harmonic generation capability with an effective second-order susceptibility estimated to be 0.70 of that for potassium dihydrogen phosphate. http://www.sciencedirect.com/science/article/B6WM2-4JY4145-3/1/a3f1c7be73432d0bb15977e2639292c6