研究目的
To construct a noncentrosymmetric luminescent coordination polymer using [BaL3] unit and Li(I) ion, and investigate its structural and optical properties.
研究成果
The study successfully constructed a novel noncentrosymmetric coordination polymer with moderate SHG response and bright blue luminescence, demonstrating the feasibility of the '[BaL3] + Li' strategy for designing functional NCS materials. Future work should explore other metal ions to expand this approach.
研究不足
The SHG response is moderate (0.5 times that of KDP), and the quantum yield for luminescence is low (1.63%). The thermal stability is limited, with decomposition starting around 260°C. The strategy may not be universally applicable to other metal ions without further optimization.
1：Experimental Design and Method Selection:
The study employed a solvothermal method to synthesize the coordination polymer, utilizing heterometallic ions (Ba and Li) with pyridine-2,6-dicarboxylate acid ligand to achieve noncentrosymmetric structures. Theoretical models for structural analysis and property measurements were based on standard crystallographic and optical techniques.
2：Sample Selection and Data Sources:
The compound was synthesized from commercially available analytical grade chemicals, including BaCl2·2H2O, LiNO3, and 2,6-PyDCH2, dissolved in DMF and water.
3：List of Experimental Equipment and Materials:
Equipment included Miniflex II diffractometer for PXRD, NETZSCH STA 449F3 for TGA, Elementary Vario EL III for elemental analysis, Nicolet Magna 750 FT-IR spectrometer, PerkinElmer LS55 luminescence spectrometer, Varian Cary 500 Scan UV-visible system with integrating sphere, Q-switched Nd:YAG laser for SHG measurement, and Oxford Xcalibur Eos diffractometer for single-crystal X-ray analysis. Materials were BaCl2·2H2O, LiNO3, 2,6-PyDCH2, DMF, water, ethanol, KBr pellets, BaSO4 plate.
4：Experimental Procedures and Operational Workflow:
The synthesis involved heating a mixture at 120°C for 67 hours in a Teflon-lined reactor, followed by washing and drying. Characterization included PXRD, TGA, elemental analysis, FT-IR, fluorescence spectroscopy, quantum yield measurement, SHG response measurement, and single-crystal X-ray diffraction.
5：Data Analysis Methods:
Data were analyzed using SHELX-2016 for crystal structure refinement, and standard methods for optical properties, including comparison with KDP for SHG and CIE diagram for luminescence.
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Miniflex II diffractometer
Miniflex II
Rigaku
Used for powder X-ray diffraction (PXRD) to confirm phase purity of the compound.
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PerkinElmer LS55 luminescence spectrometer
LS55
PerkinElmer
Used for recording fluorescent emission and excitation spectra.
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Oxford Xcalibur Eos diffractometer
Xcalibur Eos
Oxford
Used for single-crystal X-ray diffraction data collection.
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NETZSCH STA 449F3
STA 449F3
NETZSCH
Used for thermogravimetric analysis (TGA) to study thermal stability.
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Elementary Vario EL III
Vario EL III
Elementar
Used for elemental analysis (EA) of C, H, N.
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Nicolet Magna 750 FT-IR spectrometer
Magna 750
Nicolet
Used for Fourier transform infrared (FT-IR) spectroscopy.
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Varian Cary 500 Scan UV-visible system
Cary 500 Scan
Varian
Used with integrating sphere for quantum yield measurement.
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Q-switched Nd:YAG laser
Not specified
Not specified
Used for second harmonic generation (SHG) measurement.
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