کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1505482 | 993764 | 2011 | 10 صفحه PDF | دانلود رایگان |
![عکس صفحه اول مقاله: Electronic absorption, vibrational spectra and nonlinear optical properties of N-(2 chlorophenyl)-1-propanamide Electronic absorption, vibrational spectra and nonlinear optical properties of N-(2 chlorophenyl)-1-propanamide](/preview/png/1505482.png)
FT-Raman, IR and UV–vis spectroscopies have been applied to investigate the potential nonlinear optical (NLO) material N-(2 chlorophenyl)-1-propanamide. A detailed interpretation of the vibrational spectra was carried out with the aid of normal coordinate analysis (NCA) following the scaled quantum mechanical force field methodology. Density functional theory is applied to explore the nonlinear optical properties of the molecule. The study suggests the importance of π-conjugated systems for nonlinear optical properties and the possibility of charge transfer interactions. Good consistency is found between the calculated results and experimental data for the electronic absorption, IR and Raman spectra. The solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model, and the results are in good agreement with experimental measurements.
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Journal: Solid State Sciences - Volume 13, Issue 1, January 2011, Pages 175–184