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A strong second-harmonic generation material Cd4BiO(BO3)3 originating from 3-chromophore asymmetric structures
Wei-Long Zhang1, Wen-Dan Cheng, Hao Zhang
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Mater, the Chinese Academy of Sciences, Fuzhou, Fujian 350002, China.
Journal of the American Chemical Society
|January 22, 2010
Summary
A new nonlinear optical crystal, Cd(4)BiO(BO(3))(3), exhibits a large second harmonic generation (SHG) effect due to its unique asymmetric structure. This material shows promise for industrial applications owing to its phase-matchability and thermal stability.
Area of Science:
- Materials Science
- Solid-State Chemistry
- Crystallography
Background:
- Nonlinear optical (NLO) materials are crucial for technologies like optical communications and laser systems.
- Borate systems are a significant class of NLO materials, but optimizing their properties remains an active research area.
- Understanding the relationship between crystal structure and NLO response is key to designing advanced materials.
Purpose of the Study:
- To synthesize and characterize a novel nonlinear optical crystal, Cd(4)BiO(BO(3))(3).
- To investigate the origin of its large NLO response.
- To evaluate its potential for practical applications.
Main Methods:
- Flux method for crystal preparation.
- Single crystal X-ray diffraction for structure determination (space group Cm).
- Theoretical calculations (density of states, electron-density difference maps).
- Experimental measurements of NLO properties (SHG effect, phase-matchability, thermal stability).
Main Results:
- Successfully synthesized Cd(4)BiO(BO(3))(3) with a novel structure containing CdO(n), BiO(6), and BO(3) groups.
- Observed the largest NLO coefficient among known borate systems for this material.
- Attributed the strong NLO response to cooperative effects of asymmetric chromophores involving Cd(2+) displacement, Bi(3+) lone pair, and BO(3) pi-delocalization.
- Demonstrated a large second harmonic generation (SHG) effect, phase-matchability, and high thermal stability.
Conclusions:
- Cd(4)BiO(BO(3))(3) is a promising new nonlinear optical material.
- Its superior NLO performance stems from synergistic interactions within its unique asymmetric structure.
- The material's favorable properties suggest significant potential for industrial production and applications.
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