کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
10557401 | 968891 | 2005 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Surface-enhanced Raman scattering and density functional theory calculation of uracil on gold and silver nanoparticle surfaces
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: Surface-enhanced Raman scattering and density functional theory calculation of uracil on gold and silver nanoparticle surfaces Surface-enhanced Raman scattering and density functional theory calculation of uracil on gold and silver nanoparticle surfaces](/preview/png/10557401.png)
چکیده انگلیسی
The adsorption structure of uracil on gold and silver nanoparticle surfaces has been comparatively studied by means of surface-enhanced Raman scattering (SERS). Uracil appeared to assume a perpendicular orientation with respect to the surfaces. The presence of the ν(CH) band in the SERS spectra indicated a vertical orientation of the aromatic ring of uracil on Au and Ag. The density functional theory (DFT) calculation was performed at the levels of B3LYP and MP2 to estimate the energetic stability of the N3- and N1-deprotonated tautomers and their vibrational frequencies on the surfaces. Almost all the vibrational bands in the SERS spectra at high concentrations could be ascribed to the N3-deprotonated uracil. The N3-deprotonated tautomer was predicted to be more favorable on Au than on Ag from the DFT calculation. The metal-N bond distance was assumed to be shorter for Au than for Ag upon adsorption of uracil.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 61, Issue 6, April 2005, Pages 1141-1145
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 61, Issue 6, April 2005, Pages 1141-1145
نویسندگان
Kwang-Hwi Cho, Jaebum Choo, Sang-Woo Joo,