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Noncentrosymmetric Cubic CsCdBO 3 with Bichromophore
Author(s) -
Yu Hongwei,
Wu Hongping,
Pan Shilie,
Zhang Bingbing,
Wen Ming,
Yang Zhihua,
Li Hongyi,
Jiang Xiangzhan
Publication year - 2013
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.201301075
Subject(s) - chemistry , octahedron , crystallography , boron , crystal structure , second harmonic generation , group (periodic table) , single crystal , diffuse reflectance infrared fourier transform , anisotropy , crystal (programming language) , planar , spectroscopy , optics , laser , programming language , organic chemistry , photocatalysis , quantum mechanics , computer science , catalysis , biochemistry , physics , computer graphics (images)
The noncentrosymmetric borate CsCdBO 3 was synthesized by a solid‐state reaction, and its structure was determined by single‐crystal X‐ray diffraction. The crystal structure is a complicated three‐dimensional network composed of CdO 6 octahedra, CsO 6 octahedra, and BO 3 triangles. Interestingly, CsCdBO 3 crystallizes in the cubic space group P 2 1 3, which is quite rare for borate‐containing anisotropic polarized planar BO 3 groups. Furthermore, the IR spectrum confirms the presence of BO 3 groups. Second harmonic generation (SHG) measurements on powder samples reveal that the SHG response of CsCdBO 3 is approximately 0.5 × KDP (KH 2 PO 4 ). Thermal analysis and UV/Vis/NIR diffuse reflectance spectroscopy data, as well as electronic band structure calculations, are also reported.