Details

Autor(en) / Beteiligte

• Meng, Xiangsheng
• Liu, Guangxia
• Xu, Yifei
• Zhu, Chuanrui
• Wang, Xianzhe
• Zhang, Chenyi
• Yang, Kang
• Yin, Dongmei
• Shen, Chuanying
• Wang, Duanliang

Titel

Investigations of structure, thermal stability and optical properties of a new NLO crystal (C3H5N2)+(CF3COO)

Ist Teil von

• Journal of molecular structure, 2025-01, Vol.1320, p.139764, Article 139764

Ort / Verlag

Elsevier B.V

Erscheinungsjahr

2025

Quelle

Alma/SFX Local Collection

Beschreibungen/Notizen

• •Noncentrosymmetric (C3H5N2)+(CF3COO)- crystal was grown by solution method.•The structure, thermal stability and optical properties were investigated.•A thermal stability up to 125 °C, and the absorption cutoff at 260 nm were detected.•The emission peak at 363 nm can be ascribed to π-π* transition of imidazole ring.•Moderate phase-matching SHG response of 0.64 times KH2PO4 was evaluated. New NLO imidazolium trifluoro acetate (C3H5N2)+(CF3COO)- single crystals were synthesized by solution evaporation method, with its structure, thermal stability, absorption spectrum, photoluminescence and second order nonlinear optical (NLO) properties were systematically investigated. This crystal features 0-dimensional noncentrosymmetric structure with orthorhombic space group I212121 which consist of isolated organic imidazolium cation (C3H5N2)+ and trifluoro acetate anion (CF3CO2)-. A high thermal stability up to 125 °C, and the absorption edge at 260 nm with a wide band gap of 4.55 eV were respectively determined. In addition, the photoluminescence performance with an emission peak at 363 nm can be ascribed to the π-π* transition absorption of imidazole ring. Notably, moderate phase-matching SHG response of 0.64 times KH2PO4 was evaluated for (C3H5N2)+(CF3COO)-. All the results indicate the potential applications of (C3H5N2)+(CF3COO)- in optical field.