Proceedings of the Korean Vacuum Society Conference (한국진공학회:학술대회논문집)
- 2013.08a
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- Pages.137-137
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- 2013
Adsorption Selectivities between Hydroxypyridine and Pyridone Adsorbed on the Ge(100) Surface
- Lee, Myungjin (Department of Chemistry, Sookmyung Women's University) ;
- Lee, Hangil (Department of Chemistry, Sookmyung Women's University)
- Published : 2013.08.21
Abstract
The most stable adsorption structures and their corresponding energies of 4-pyridone, 4-hydroxypyridine, 2-pyridone and 2-hydroxypyridine have been investigated by Density Functional Theory (DFT) calculation method and high-resolution photoemission spectroscopy (HRPES). We confirmed that between the two reaction centers of 4- and 2-pyridone, only O atom of carbonyl functional group can act as a Lewis base and thus, O dative bonding structure is the most stable. On the other hand, we clarified that both the two reaction centers (the cyclic N atom and the O atom of hydroxyl functional group) of 4- and 2-hydroxypyridine (tautomers of 4- and 2-pyridone) can successfully function as a Lewis base. Through the interpretation of the N 1s and O 1s core level spectra obtained using HRPES, we could confirm the electronic structures and bonding configurations of these molecules with a coverage dependence on the Ge(100) surface.
Keywords
- hydroxypyridine;
- pyridone;
- Tautomerism;
- Ge(100) surface;
- DFT calculation;
- Adsorption structure;
- HRPES