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Three-In-One: A Guanidinium-Containing Niobium Oxyfluoride with a Perovskite-like Structure Revealing Multifunctional
Wenyao Zhang1,2, Maiheliya Yahefu1,2, Hongheng Chen3
1College of Medical Engineering and Technology, Xinjiang Medical University, Urumqi 830017, China.
Inorganic Chemistry
|July 7, 2025
Summary
Researchers synthesized a novel guanidinium niobium oxyfluoride with a perovskite-like structure. This noncentrosymmetric (NCS) material exhibits significant optical properties, including birefringence and light-blue emission, highlighting its potential for advanced optical applications.
Area of Science:
- Materials Science
- Inorganic Chemistry
- Solid-State Chemistry
Background:
- Developing novel noncentrosymmetric (NCS) compounds is crucial for advanced optical materials.
- Transition-metal oxyfluorides offer a promising class of materials with diverse structural and functional properties.
- Perovskite-like structures are of significant interest due to their versatile applications.
Purpose of the Study:
- To synthesize and characterize the first guanidinium-containing niobium oxyfluoride.
- To investigate the structural, optical, and electronic properties of the new compound.
- To explore its potential as a trifunctional optical material.
Main Methods:
- Mild hydrothermal synthesis method.
- Single-crystal X-ray diffraction for structural determination.
- Experimental and theoretical calculations for optical property analysis (e.g., second-harmonic-generation response, birefringence).
Main Results:
- Successful synthesis of C(NH2)3NbOF4, a novel guanidinium niobium oxyfluoride with a perovskite-like structure.
- The compound crystallizes in the polar space group P4bm, confirming its noncentrosymmetric nature.
- Demonstrated significant second-harmonic-generation (SHG) response, high birefringence (0.207 at 546 nm), and light-blue emission.
Conclusions:
- The synthesized C(NH2)3NbOF4 expands the structural diversity of transition-metal oxyfluorides.
- Its NCS structure and notable optical properties confirm its potential as a trifunctional optical material.
- This work contributes to the discovery of new functional perovskite-like materials.
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