Polar Phosphorus Chalcogenide Cage Molecules: Enhancement of Nonlinear Optical Properties in Adducts

Author:

Yang Shunda12,Lin Chensheng1,Fan Huixin1,Chen Kaichuang1,Zhang Ge13,Ye Ning4,Luo Min13ORCID

Affiliation:

1. Key Laboratory of Optoelectronic Materials Chemistry and Physics Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian 350002 China

2. ShanghaiTech University Shanghai 200120 China

3. Fujian Science & Technology Innovation Laboratory for Optoelectronic Information of China Fuzhou Fujian 350108 China

4. Tianjin Key Laboratory of Functional Crystal Materials Institute of Functional Crystal Tianjin University of Technology Tianjin 300384 China

Abstract

AbstractInorganic adducts are an emerging class of infrared nonlinear optical (NLO) materials. However, although the reported NLO adducts have sufficient birefringences and significant laser‐induced damage thresholds (LIDTs), they commonly suffer from weak second harmonic generation (SHG) responses. In this work, a series of polar phosphorus chalcogenide cage molecules with strong hyperpolarizabilities were theoretically screened out to enhance the SHG responses of adducts. Accordingly, (CuI)3(P4S4), (CuI)3(P4Se4), (CuBr)7(P4S3)3 and (CuBr)7(P4Se3)3 with target polar cage molecules were successfully synthesized. As expected, they exhibit enhanced SHG responses while keeping moderate birefringences and high LIDTs. Notably, (CuBr)7(P4Se3)3 possesses the largest SHG response (3.5×AGS@2.05 μm) among the known inorganic NLO adducts. Our study confirms that introducing NLO‐active cage molecules into adducts is an efficient strategy for high‐performance NLO materials.

Funder

National Natural Science Foundation of China

Youth Innovation Promotion Association of the Chinese Academy of Sciences

Publisher

Wiley

Subject

General Chemistry,Catalysis

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