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Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative
Man-Yu Li1,2, Qing Liao1,2, Meng Zhang3
1Beijing National Laboratory for Molecular Science (BNLMS), State Key Laboratory for Structural Chemistry of Unstable and Stable Species, Institute of Chemistry, Chinese Academy of Sciences, Beijing 100080, PR China.
Abstract:
Here, we report the surface-enhanced Raman scattering (SERS) spectrum of 2-(2'-hydroxy-5'-methylphenyl)benzotriazole (Tinuvin P), a benzotriazole derivative that is the most widely used commercially available UV absorber or stabilizer and is used representatively for the research of photostability mechanism. A full assignment of the Raman spectrum has been made based on the scaled-DFT analysis of the normal vibrational modes. Through the comparative studies on the ordinary Raman spectrum and the SERS spectrum of Tinuvin P, we propose that this molecule binds the Au atom, via the O atom of the hydroxyl or the N1 atom of the benzotriazole moiety, with a perpendicular geometry.
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