Wang Li-Ran, Fang Yan
Beijing Key Lab of Nano-Photonics and Nano-Structure, NPNS, Department of Physics, Capital Normal University, Beijing, 100037, China.
Spectrochim Acta A Mol Biomol Spectrosc. 2006 Mar 1;63(3):614-8. doi: 10.1016/j.saa.2005.06.009.
High qualities Raman spectra of pyridine carboxylic acid in silver colloidal solution and on silver-coated ITO glass at near infrared laser excitation were obtained in this article. The calculations based on density functional theory (DFT) were used to analysis the absorption behavior of these molecules. By comparing the experimental frequencies with the calculated ones, it can be concluded that the carboxylate-to-metal interaction is the key factor during the adsorption process, and the nitrogen-to-metal coordination seemed to play a secondary role in the process.
本文获得了吡啶羧酸在银胶体溶液中和在涂银ITO玻璃上近红外激光激发下的高质量拉曼光谱。基于密度泛函理论（DFT）的计算用于分析这些分子的吸附行为。通过将实验频率与计算频率进行比较，可以得出结论，羧酸根与金属的相互作用是吸附过程中的关键因素，而氮与金属的配位在该过程中似乎起次要作用。
