کد مقاله کد نشریه سال انتشار مقاله انگلیسی نسخه تمام متن
1229539 1495213 2016 8 صفحه PDF دانلود رایگان
عنوان انگلیسی مقاله ISI
Adsorption configuration of sodium 2-quinoxalinecarboxylate on iron substrate: Investigation by in situ SERS, XPS and theoretical calculation
موضوعات مرتبط
مهندسی و علوم پایه شیمی شیمی آنالیزی یا شیمی تجزیه
پیش نمایش صفحه اول مقاله
Adsorption configuration of sodium 2-quinoxalinecarboxylate on iron substrate: Investigation by in situ SERS, XPS and theoretical calculation
چکیده انگلیسی


• NBO, HOMO–LUMO energy, dipole moment, Raman-active bands and assignments of sodium 2-QC have been carried out.
• XPS measurements evidenced that 2-QC adsorbed on iron via two equivalent O atoms in carboxylate group.
• Interesting potential induced structural changes were observed by EC-SERS.
• Experimental results were in accordance with DFT prediction.

The adsorption geometry of sodium 2-quinoxalinecarboxylate (2-QC) on iron surface was investigated by in situ surface-enhanced Raman scattering spectroscopy (SERS) and X-ray photoelectron spectroscopy (XPS) measurements. The density functional theory (DFT) calculations predicted that 2-QC ion was a highly efficient inhibitor and N as well as O atoms were the possible adsorption centers, and theoretically offered the Raman-active band position and intensity. Potential-dependent SERS results suggested that the 2-QC strongly bonded to the iron surface via the lone pair electrons of the two O atoms of the carboxylate group in a bidentate configuration with a vertical orientation at more positive potentials; However, at − 1.0 V, only one O atom of the carboxylate and the neighboring N1 atom (or very close to surface) adsorbed on the iron surface forming an unidentate configuration with a titled orientation. The ions did not remain on the iron surface at more negative potentials.

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ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy - Volume 156, 5 March 2016, Pages 123–130
نویسندگان
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