研究目的
Investigating the design and performance of indolium-based crystals for efficient terahertz-wave generation.
研究成果
The study successfully developed a new acentric indolium-based crystal, OHI-T, for terahertz region application by rational control between hydrogen bonds and face-to-face π-π interactions. OHI-T exhibited a large SHG response, wide transparency range, and efficient THz-wave generation, making it a promising candidate for practical terahertz generators. The work also confirmed the significance of slightly regulating molecular interactions in designing optoelectronic functional crystal materials.
研究不足
The study focuses on the design and initial performance evaluation of indolium-based crystals for THz-wave generation. Further optimization of crystal quality and experimental parameters (e.g., pump wavelength, phase matching condition) is needed to achieve higher THz output power and conversion efficiency.
1：Experimental Design and Method Selection:
The study involved the synthesis and growth of two indolium-based crystals, OHI-CBS and OHI-T, using the evaporation method. The structural transformation from centrosymmetric to noncentrosymmetric space group was achieved by substituting chloro- with methyl groups. Theoretical calculations were used to analyze the contributions of hydrogen bonds and π-π interactions to molecular spatial alignment.
2：Sample Selection and Data Sources:
Single crystals of OHI-CBS and OHI-T were grown from methanol solvent. The phase purity was confirmed by powder X-ray diffraction (XRD).
3：List of Experimental Equipment and Materials:
A Rigaku AFC10 single-crystal diffractometer for X-ray diffraction, NETZSCH STA 449F5 instruments for thermal analysis, UH4150 UV-visible spectrophotometer for transmittance spectra, and a Q-switched Ho:Tm:Cr:YAG laser for SHG measurements.
4：Experimental Procedures and Operational Workflow:
The synthesis involved the reaction of 2,3,3-trimethylindolenine with methyl p-toluenesulfonate in 1,2-dimethoxyethane, followed by purification. Single-crystal X-ray diffraction was used to determine the crystal structures. Thermal stability was assessed by TGA and DTA. Optical properties were measured using UV-vis spectroscopy and SHG response was evaluated using the Kurtz-Perry method.
5：Data Analysis Methods:
The structures were solved using Intrinsic Phasing with the ShelXT structure solution program and refined using Least Squares minimization with the ShelXL refinement package. Hirshfeld analysis was performed using the Crystal Explorer software.
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