Second-Harmonic-Generation-Active Oxyhalides: CuSb2O3X (X = Cl, Br)

Mei Yang; Zhi-Hui Shi; Wen-Dong Yao; Sheng-Ping Guo

doi:10.1021/acs.inorgchem.1c03588

Second-Harmonic-Generation-Active Oxyhalides: CuSb₂O₃X (X = Cl, Br)

Inorg Chem. 2022 Jan 10;61(1):42-46. doi: 10.1021/acs.inorgchem.1c03588. Epub 2021 Dec 15.

Authors

Mei Yang¹, Zhi-Hui Shi¹, Wen-Dong Yao¹, Sheng-Ping Guo¹

Affiliation

¹ School of Chemistry and Chemical Engineering, Yangzhou University, Yangzhou 225002, P. R. China.

PMID: 34910471
DOI: 10.1021/acs.inorgchem.1c03588

Abstract

Metal oxyhalides have attracted broad interest recently because of their diverse structures and versatile properties. Here, two oxyhalides, CuSb₂O₃Cl (1) and CuSb₂O₃Br (2), were studied by focusing on their nonlinear-optical properties. They are crystallized in the noncentrosymmetric monoclinic Cc structure, and the layered structures could be derived from a 1:1 combination of CuX- (X = Cl, Br) and Sb₂O₃-type slabs. Their energy gaps were determined to be 2.76 and 2.64 eV. The second-harmonic-generation (SHG) test suggests that they are nonlinear-optical-active, and the effects are ascribed to the contribution of CuX₃O units. Meanwhile, the SbO₃ units' arrangement has a small contribution to the SHG effects. This work is the pioneer SHG investigation of the M^I-M^III-O-X (M^I = Cu, Ag; M^III = trivalent As, Sb, Bi; X = halogen) family.