[C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response
| Autor: | X. J. Wen, Min Luo, Chensheng Lin, Kaichuang Chen, Ning Ye, Huixin Fan |
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| Rok vydání: | 2021 |
| Předmět: |
Birefringence
Materials science Hydrogen bond Metal ions in aqueous solution Second-harmonic generation 02 engineering and technology Conjugated system 010402 general chemistry 021001 nanoscience & nanotechnology medicine.disease_cause 01 natural sciences 0104 chemical sciences Crystallography Polarizability medicine General Materials Science 0210 nano-technology Anisotropy Ultraviolet |
| Zdroj: | Science China Materials. 64:2008-2016 |
| ISSN: | 2199-4501 2095-8226 |
| DOI: | 10.1007/s40843-020-1604-0 |
| Popis: | [PO4]3− possesses small microscopic second-order susceptibility and polarizability anisotropy, which inherently result in weak second-harmonic generation (SHG) and small birefringence. Herein, a new noncentrosymmetric phosphate, [C(NH2)3]3PO4·2H2O, was successfully designed and synthesized by a solution evaporation method. [C(NH2)3]3PO4·2H2O without metal ions is composed of planar conjugated guanidine cations and PO4 tetrahedrons, which are connected by hydrogen bonds, forming a three-dimensional network. Physical property measurements indicate that the title compound displays an SHG response of 1.5 × KH2PO4 (KDP) and a larger birefringence (0.055@546.1 nm) compared with most reported ultraviolet nonlinear optical phosphates. Furthermore, first-principles calculations reveal that the π-conjugated planar [C(NH2)3]+ cations and [PO4]3− groups are responsible for its excellent linear and NLO properties. |
| Databáze: | OpenAIRE |
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