20 September 2005 Crystal structure and second harmonic generation in cesium hydrogen malate hydrate
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Abstract
Cesium hydrogen L-malate monohydrate, CsH(C4H4O5).H2O, is a new non-linear optical semi-organic crystalline material with a second harmonic generation efficiency roughly 2.5 times greater than KDP. Its crystal structure, space group P21, shows that the malate anions, are interconnected through directional O-H•••O hydrogen bonding, in a head-to-tail arrangement, creating extended anionic layers. The water molecules provide a cross-link, through hydrogen bonding, between adjacent layers. Especially noteworthy is that the Cesium cations and the COO- group from the malate anions, form a sequence of nearly perfectly aligned dipoles oriented along the b crystallographic axis giving a permanent dipole moment of 38 Debye per unit cell. As the crystals are non hygroscopic and easy to grow, they are potential new material for nonlinear optical and pyroelectric applications.
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Etelvina de Matos Gomes, Etelvina de Matos Gomes, Cristina F. Goncalves, Cristina F. Goncalves, Michael S. Belsley, Michael S. Belsley, Flavio Ferreira, Flavio Ferreira, M. Margarida R. Costa, M. Margarida R. Costa, Victor H. Rodrigues, Victor H. Rodrigues, Alberto Criado, Alberto Criado, "Crystal structure and second harmonic generation in cesium hydrogen malate hydrate", Proc. SPIE 5912, Operational Characteristics and Crystal Growth of Nonlinear Optical Materials II, 59120D (20 September 2005); doi: 10.1117/12.614096; https://doi.org/10.1117/12.614096
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