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Chiral Lead-Oxyiodide Nonlinear Optical Crystals Constructed on l-Malate Groups
Yiting Luo1,2,3, Shuangcheng Li1, Jialin Zeng1
1State Key Laboratory of Structural Chemistry, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, P. R. China.
Inorganic Chemistry
|December 8, 2025
Summary
Researchers developed new chiral lead-oxyiodide nonlinear optical (NLO) crystals. One crystal shows a very strong second-harmonic generation (SHG) response, offering a new strategy for high-performance NLO materials.
Area of Science:
- Materials Science
- Solid State Chemistry
- Crystallography
Background:
- The search for advanced nonlinear optical (NLO) materials with high second-harmonic generation (SHG) efficiency is crucial for optical applications.
- Introducing organic functional groups into inorganic frameworks offers a pathway to tune NLO properties.
Purpose of the Study:
- To synthesize novel chiral lead-oxyiodide NLO crystals by incorporating the l-malate group.
- To investigate the relationship between crystal structure, particularly distorted polyhedra, and SHG performance.
- To explore a new strategy for designing high-performance NLO materials.
Main Methods:
- Rational synthesis of three chiral lead-oxyiodide NLO crystals: [Rb2I][PbI(LM)] and A2[Pb2I2(LM)2] (A = Rb, K), where LM is the l-malate group.
- Structural characterization revealing highly distorted lead-oxyiodide polyhedra and their arrangement.
- Measurement of second-harmonic generation (SHG) properties.
- Theoretical calculations to elucidate the origin of SHG responses.
Main Results:
- The synthesized crystals feature highly distorted lead-oxyiodide polyhedra with significant hyperpolarizability.
- [Rb2I][PbI(LM)] exhibits an exceptionally strong SHG response (7.3 × KDP), nearly triple that of the other synthesized compounds.
- The optimal superposition of microscopic second-order susceptibilities in [Rb2I][PbI(LM)] is attributed to the uniform arrangement of distorted polyhedra.
- Theoretical analysis confirms that distorted lead-oxyiodide polyhedra are the primary source of the observed SHG effects.
Conclusions:
- The incorporation of the l-malate group into halide perovskites is an effective strategy for creating chiral lead-oxyiodide NLO crystals.
- Highly distorted lead-oxyiodide polyhedra play a critical role in achieving strong SHG responses.
- This research provides a promising avenue for the development of next-generation high-performance NLO materials.
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