具有强光学非线性和高稳定性的非线性光学（NLO）有机材料因其潜在的广泛应用而备受关注。
近日，电子科技大学许向东教授等人在Science China Materials发表研究论文，设计并系统地研究了具有超强二阶非线性光学响应的一种新型NLO查尔酮衍生物—1-(4-甲氧基苯基)-3-(4-乙氧基苯基)-2-丙烯基-1-酮（DMPO）。
1) 合成得到的这种新设计的DMPO仅在5天内即可快速生长出尺寸为10 × 5 × 4 mm3的DMPO单晶。2) 这些DMPO晶体由中性有机分子组成，它们在较宽的波段600–1800 nm范围具有高透明性，还拥有适度的光学带隙（2.51 eV），并展现出卓越的抗潮解性能。3) DMPO实测的二次谐波产生（SHG）响应高达基准材料4-(4-二甲氨基苯乙烯基)甲基吡啶对甲苯磺酸盐（DAST）的1.86倍，证实了DMPO具有优良的宏观二阶光学非线性性质。DMPO是集多种优点于一身的一种有机NLO新材料，可广泛应用于NLO领域。Figure 1. Structure information. (a) Synthetic route of DMPO. (b) Ball-and-stick model of the DMPO molecule. (c) Orientation of the DMPO molecules within unit cells in the crystallographic abc system and the Cartesian XYZ system. The dotted and solid arrows denote the polar axis and the direction of the first-order hyperpolarizability β of the chromophores, respectively. The angle between the main charge-transfer axis Z and β of the DMPO molecules is θp = 13°, revealing an order parameter of cos3(θp) = 0.925 for DMPO.Figure 2. Molecular optical nonlinearity and crystal characteristics. (a) Frontier molecular orbitals. (b) Electron density map with molecular ESP in the gas phase of DMPO. Partial DOS of (c) C atoms and (d) O atoms of DMPO. (e) Reflectivity along the a-, b-, and c-axes of the DMPO crystal. Real (ε1) and imaginary (ε2) parts of the complex permittivity of the DMPO crystal along the (f) a-, (g) b-, and (h) c-axes, respectively.Figure 3. Characterizations and morphologies of DMPO. (a) Mass-to-charge ratio of DMPO. (b) FT-IR spectrum of DMPO. (c) FT-IR spectrum of DMPO after air exposure for 120 days. (d) Solubility of DMPO in methanol solution at different temperatures. (e) Measured and simulated XRD patterns of DMPO. (f) DSC and TGA/DTG thermograms of DMPO. Insets of (a) and (d) show the synthesized and purified DMPO powders and the grown DMPO single crystals, respectively.Figure 4. Linear and nonlinear optical properties of DMPO. (a) UV-vis-NIR transmittance and absorption spectra. (b) Curve of the photon energy (hν) against (αhν)2. (c) The extinction coefficient (κ) at different wavelengths. (d) Comparison of the intensities of the reflection and transmission SHG of DMPO with those of DAST.Ran An, Xiangdong Xu, Bingxuan Li, Jun Han, Ruiliang Sun, Mingang Zhang, Yadong Jiang. A new neutral organic material DMPO with ultra-strong second-order nonlinear response and excellent anti-deliquescence. Sci. China Mater. (2024).https://doi.org/10.1007/s40843-024-2949-2
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