Adsorption configuration of sodium 2-quinoxalinecarboxylate on iron substrate: Investigation by in situ SERS, XPS and theoretical calculation
| Autor: | Li-Hong Chen, Sheng-Juan Huo, Jianhui Fang, Jin-Mei He |
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| Rok vydání: | 2015 |
| Předmět: |
Denticity
Chemistry 02 engineering and technology 010402 general chemistry 021001 nanoscience & nanotechnology 01 natural sciences Atomic and Molecular Physics and Optics 0104 chemical sciences Analytical Chemistry Ion Crystallography chemistry.chemical_compound Adsorption X-ray photoelectron spectroscopy Atom Density functional theory Carboxylate 0210 nano-technology Instrumentation Lone pair Spectroscopy |
| Zdroj: | Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy. 156 |
| ISSN: | 1873-3557 |
| Popis: | 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 N(1) 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. |
| Databáze: | OpenAIRE |
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