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首页> 外文期刊>Journal of Molecular Structure >Structural and optical properties of new organic crystal 1-[4-(methylsulfanyl) phenyl]-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-One for optical limiting applications
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Structural and optical properties of new organic crystal 1-[4-(methylsulfanyl) phenyl]-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-One for optical limiting applications

机译:新型有机晶体1- [4-(甲基硫烷基)苯基] -3-(2,4,5-三甲氧基苯基)丙-2-烯-1-的结构和光学性质

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摘要

A new organic crystal belonging to chalcone family 1-[4-(methylsulfanyl) phenyl]-3-(2,4,5-trimethoxyphenyl) prop-2-en-1-One (4MSTP) with molecular formula C_(19)H_(20)O_4S has been synthesized by Claisen Schimidt condensation method. 4MSTP was crystallized by slow evaporation technique using methanol solution at ambient temperature. Crystals of 4MSTP were characterized by Fourier transform infrared (FTIR) spectroscopy, NMR spectroscopy, single crystal and powder X-ray diffraction (XRD) technique, thermal analysis and UV-Vis spectroscopy. Nonlinear optical properties of 4MSTP crystals were investigated using Nd:YAG laser at 532 nm wavelength. The presence of functional groups were confirmed by FTIR and the structural elucidation was done using proton and carbon NMR spectral analysis. The X-ray diffraction peaks are indexed by the least square fit method. From the single crystal XRD study it is found that 4MSTP crystallizes in monoclinic system with a centro symmetric space group P21/c. The unit cell parameters of the crystal are: a = 19.2413(6) ?, b = 8.9504(3) ?, c = 10.3608(4) ?, α = 90°, β = 104.45°(2) and γ = 90°. Linear optical studies were carried out using UV visible spectral technique. The studies revealed that the 4MSTP crystals can be exploited for the nonlinear optical applications. TGA-DSC experiments indicated that the melting point of the material is 165.91 °C and the crystals showed absence of phase transition before melting point. Calculated excited state absorption (σ_(ex)) is greater than the ground state absorption (σ_g) and thus the condition for Reverse Saturable Absorption (RSA) is achieved in 4MSTP. The open aperture Z-Scan curve showed minimum transmittance at the focus and hence 4MSTP crystals have maximum nonlinear absorption. The variation of nonlinear transmission with input intensity of laser showed that 4MSTP crystals can be used as an optical limiter.
机译:属于查耳酮族的新有机晶体1- [4-(甲基硫烷基)苯基] -3-(2,4,5-三甲氧基苯基)prop-2-en-1-One(4MSTP),分子式为C_(19)H_ (20)O_4S是通过Claisen Schimidt缩合法合成的。通过在环境温度下使用甲醇溶液的缓慢蒸发技术使4MSTP结晶。 4MSTP的晶体通过傅立叶变换红外(FTIR)光谱,NMR光谱,单晶和粉末X射线衍射(XRD)技术,热分析和UV-Vis光谱进行了表征。使用Nd:YAG激光在532 nm波长下研究了4MSTP晶体的非线性光学性质。通过FTIR证实官能团的存在,并且使用质子和碳NMR光谱分析进行结构阐明。 X射线衍射峰通过最小二乘拟合法进行索引。从单晶XRD研究发现,4MSTP在具有中心对称空间群P21 / c的单斜晶系中结晶。晶体的晶胞参数为:a = 19.2413(6)?,b = 8.9504(3)?,c = 10.3608(4)?,α= 90°,β= 104.45°(2)和γ= 90° 。使用紫外可见光谱技术进行了线性光学研究。研究表明,4MSTP晶体可用于非线性光学应用。 TGA-DSC实验表明该材料的熔点为165.91°C,晶体在熔点之前没有相变。计算出的激发态吸收(σ_(ex))大于基态吸收(σ_g),因此在4MSTP中达到了反向饱和吸收(RSA)的条件。开孔Z扫描曲线在焦点处显示出最小的透射率,因此4MSTP晶体具有最大的非线性吸收。非线性透射率随激光输入强度的变化表明4MSTP晶体可用作光学限幅器。

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