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首页> 外文期刊>RSC Advances >Investigation on the growth, structural, HOMO-LUMO and optical studies of 1-ethyl-2-[2-(4-hydroxy-phenyl)-vinyl]-pyridinium iodide (HSPI) - a new stilbazolium derivative for third-order NLO applications
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Investigation on the growth, structural, HOMO-LUMO and optical studies of 1-ethyl-2-[2-(4-hydroxy-phenyl)-vinyl]-pyridinium iodide (HSPI) - a new stilbazolium derivative for third-order NLO applications

机译：1-乙基-2- [2-（4-羟基 - 苯基） - 吡啶碘化吡啶（HSPI）的生长，结构，同性恋荧光和光学研究 - 吡啶鎓碘化吡啶（HSPI） - 用于三阶NLO应用的新型斯莱唑鎓衍生物

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The organic third-order non-linear optical crystal 1-ethyl-2-[2-(4-hydroxy-phenyl)-vinyl]-pyridinium iodide (HSPI), a new derivative of the stilbazolium family, was successfully synthesized and the optical quality single crystal was grown by a slow evaporation technique for the first time. The crystal structure of HSPI was confirmed by single crystal X-ray diffraction studies and it was found that it belongs to the monoclinic system with centrosymmetric space group C2/c. The molecular structure of the grown crystal was further confirmed by H-1 NMR and FTIR analysis. Theoretical calculations were performed to derive HOMO-LUMO energies and dipole moment by using the Spartan'14 V1.0.1 program. The UV-Vis-NIR spectral studies exhibit a huge transparency (similar to 70%) in the visible and near-IR (from 468 to 1100 nm) spectral regions that make it a potential material for non-linear device applications in this spectral range. The luminescence spectrum of the grown crystal showed green emission at 528 nm. The thermal stability of HSPI was found to be 226.6 degrees C. Mechanical behaviour was estimated by Vickers microhardness test. Dielectric studies were carried out as a function of frequency, and the results are discussed. The growth mechanism of HSPI was assessed by chemical etching studies. The title crystal shows excellent resistance to laser radiation with a high threshold up to 6.93 GW cm(-2) and it is compared with other NLO materials. The third-order nonlinear optical susceptibility of HSPI was derived using the Z-scan technique, and it was 4.40 x 10(-4) esu. The negative nonlinear refractive index, n(2) = -7.29 x 10(-12) m(2) W-1, is an indication of self-defocusing optical nonlinearity of the sample. It is believed that HSPI is a promising new candidate for developing efficient photonic and optical power limiting devices.
机译：有机三阶非线性光学晶体1-乙基-2- [2-（4-羟基 - 苯基） - 乙烯基] - 吡啶鎓碘化物（HSPI），斯蒂巴唑鎓家族的新衍生物，并进行了光学第一次通过缓慢蒸发技术生长优质的单晶。通过单晶X射线衍射研究证实了HSPI的晶体结构，发现它属于含有亚氨基微核群C2 / C的单斜晶体系。通过H-1 NMR和FTIR分析进一步证实生长晶体的分子结构。通过使用Spartan'14 V1.0.1程序来进行理论计算以导出同性恋能量和偶极矩。 UV-Vis-NIR光谱研究表现出可见光和接近IR（468至1100nm）光谱区域中巨大的透明度（类似于70％），其使其成为该光谱范围内的非线性装置应用的潜在材料。生长晶体的发光光谱显示在528nm处的绿色发射。 HSPI的热稳定性被发现为226.6摄氏度。通过维克斯微硬度试验估计机械行为。作为频率的函数进行介电研究，并讨论结果。通过化学蚀刻研究评估了HSPI的生长机制。标题晶体显示出优异的抗激光辐射抗性，高达6.93gWcm（-2）的高阈值，与其他NLO材料进行比较。使用Z扫描技术推导出HSPI的三阶非线性光学敏感性，它为4.40×10（-4）ESU。负非线性折射率N（2）= -7.29×10（-12）m（2）W-1是样品的自散焦光学非线性的指示。据信HSPI是开发高效光子和光学电源限制装置的有希望的新候选者。

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  • 来源
    《RSC Advances》 |2016年第42期|共14页
  • 作者

    Nivetha K.; Kalainathan S.; Yamada Manabu; Kondo Yoshihiko; Hamada Fumio;

  • 作者单位

    VIT Univ Sch Adv Sci Ctr Crystal Growth Vellore 632014 Tamil Nadu India;

    VIT Univ Sch Adv Sci Ctr Crystal Growth Vellore 632014 Tamil Nadu India;

    Akita Univ Grad Sch Engn &

    Resource Sci Res Ctr Engn Sci 1-1 Tegatagakuen Machi Akita 0108502 Japan;

    Akita Univ Grad Sch Engn &

    Resource Sci Dept Life Sci 1-1 Tegata Gakuen Cho Akita 0108502 Japan;

    Akita Univ Grad Sch Engn &

    Resource Sci Dept Appl Chem 1-1 Tegata Gakuen Cho Akita 0108502 Japan;

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