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Experimental and DFT Investigation of 6-arylated-pyridin-3-yl methanol Derivatives
ChemistrySelect ( IF 1.9 ) Pub Date : 2024-01-23 , DOI: 10.1002/slct.202302917 Adnan Ahmed 1 , Muhammad Adeel 1 , Shanawer Niaz 2, 3, 4 , Abdul Raouf 1 , Ume Aiman 1 , Muhammad Abdullah Bin Shaffiq 1 , Shahid M. Ramay 5 , Irfan Mushtaq 6
ChemistrySelect ( IF 1.9 ) Pub Date : 2024-01-23 , DOI: 10.1002/slct.202302917 Adnan Ahmed 1 , Muhammad Adeel 1 , Shanawer Niaz 2, 3, 4 , Abdul Raouf 1 , Ume Aiman 1 , Muhammad Abdullah Bin Shaffiq 1 , Shahid M. Ramay 5 , Irfan Mushtaq 6
Affiliation
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The 6-arylated-pyridin-3-yl methanol derivatives are synthesized and characterized by FTIR, 1H NMR, 13C NMR, and UV-Visible spectrometer methods. The DFT results are in fair agreement with the experiment. Furthermore, the compounds are stable according to the NBO and also exhibit a strong NLO response when contrasted to the prototype compound. The average polarizability‘s downward trend is FPPM>CPPM>BFPM>BPPM.
中文翻译:
6-芳基化-吡啶-3-基甲醇衍生物的实验和DFT研究
合成了6-芳基化-吡啶-3-基甲醇衍生物,并通过FTIR、1 H NMR、13 C NMR和紫外-可见光谱仪方法进行了表征。DFT结果与实验相当吻合。此外,根据 NBO,这些化合物是稳定的,并且与原型化合物相比,还表现出强烈的 NLO 响应。平均极化率下降趋势为FPPM>CPPM>BFPM>BPPM。
更新日期:2024-01-24
中文翻译:
![](https://static.x-mol.com/jcss/images/paperTranslation.png)
6-芳基化-吡啶-3-基甲醇衍生物的实验和DFT研究
合成了6-芳基化-吡啶-3-基甲醇衍生物,并通过FTIR、1 H NMR、13 C NMR和紫外-可见光谱仪方法进行了表征。DFT结果与实验相当吻合。此外,根据 NBO,这些化合物是稳定的,并且与原型化合物相比,还表现出强烈的 NLO 响应。平均极化率下降趋势为FPPM>CPPM>BFPM>BPPM。