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

Mei Yang1, Zhi-Hui Shi1, Wen-Dong Yao1

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

Inorganic Chemistry
|December 15, 2021
PubMed
Summary
This summary is machine-generated.

Two new metal oxyhalides, CuSb2O3Cl and CuSb2O3Br, exhibit significant nonlinear-optical properties. Their layered structures and unique copper-containing units are key to their second-harmonic-generation (SHG) activity.

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Area of Science:

  • Materials Science
  • Solid-State Chemistry
  • Optoelectronics

Background:

  • Metal oxyhalides are a class of materials with diverse structures and properties.
  • Nonlinear-optical (NLO) materials are crucial for advanced optical applications.
  • The MI-MIII-O-X family (MI = Cu, Ag; MIII = As, Sb, Bi; X = halogen) is underexplored for NLO properties.

Purpose of the Study:

  • To synthesize and characterize two novel metal oxyhalides, CuSb2O3Cl and CuSb2O3Br.
  • To investigate the nonlinear-optical properties of these compounds.
  • To understand the structural origins of their NLO activity.

Main Methods:

  • Single-crystal X-ray diffraction for structural determination.
  • Optical spectroscopy to determine energy gaps.
  • Second-harmonic-generation (SHG) measurements to assess NLO activity.

Main Results:

  • CuSb2O3Cl and CuSb2O3Br were successfully synthesized and crystallized in the noncentrosymmetric monoclinic Cc structure.
  • Layered structures were identified, formed from CuX- and Sb2O3-type slabs.
  • Energy gaps were measured at 2.76 eV (CuSb2O3Cl) and 2.64 eV (CuSb2O3Br).
  • Both compounds demonstrated nonlinear-optical activity, attributed to CuX3O units.

Conclusions:

  • CuSb2O3Cl and CuSb2O3Br are nonlinear-optical-active materials.
  • The NLO response is primarily driven by the CuX3O structural units.
  • This study represents the first SHG investigation within the MI-MIII-O-X family, opening avenues for new NLO material discovery.