کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
1238167 | 968921 | 2008 | 6 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Theoretical calculation and vibrational spectral analysis of l-arginine trifluoroacetate
دانلود مقاله + سفارش ترجمه
دانلود مقاله ISI انگلیسی
رایگان برای ایرانیان
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Theoretical calculation and vibrational spectral analysis of l-arginine trifluoroacetate Theoretical calculation and vibrational spectral analysis of l-arginine trifluoroacetate](/preview/png/1238167.png)
چکیده انگلیسی
Fourier transform infrared and Raman spectra of the nonlinear optical crystal, l-arginine trifluoroacetate (l-arginine·CF3COOH, abbreviated as LATF) have been calculated by the first-principles calculation and investigated in experiment. The calculated results are slightly different from those experimental values because of the distinction resulted from the intermolecular hydrogen bonds. The role of this type of intermolecular interaction on the crystal vibrational spectra and nonlinear optical properties has been discussed. The absorption-edge on the IR side has been estimated by the theoretical approach on basis of the calculated infrared spectrum, which will be meaningful for further research on NLO crystal.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 71, Issue 2, 15 November 2008, Pages 663-668
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 71, Issue 2, 15 November 2008, Pages 663-668
نویسندگان
Z.H. Sun, L. Zhang, D. Xu, X.Q. Wang, X.J. Liu, G.H. Zhang,