Surface-enhanced Raman scattering and DFT computational studies of a benzotriazole derivative

Abstract

Here, we report the surface-enhanced Raman scattering (SERS) spectrum of 2-(2 0 -hydroxy-5 0 -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.

Surface-enhanced Raman scattering and density functional theory study of 1,4-benzenedithiol and its silver complexes

“…It is well known that SERS is sensitive to the local intermolecular charge transfer interaction between the active site of the adsorbate and the effective metal surface [4]. As a sensitive tool, SERS can provide useful information on surface bonding sites and the molecular orientation on the metal surface [5][6][7].…”

Calculations of the infrared and Raman spectra of simple thiols and thiol–water complexes

“…Raman spectroscopy of thiols, especially mercaptans, has been amply used also for the study of the interaction with Ag surfaces and nanoparticles. Techniques such as Surface Enhanced Raman Spectroscopy (SERS) have been found particularly useful for this task18–24. Several of these studies employed also density functional theory to support the experimental findings.…”

Carboxyl-functionalized two-dimensional MXene–Au nanocomposites were prepared as SERS substrates for the detection of melamine in dairy products

“…5(a) illustrates the Raman spectrum of the Au–Ti 2 N–COOH substrate and the corresponding SERS signals of melamine and its analogues. Firstly, the Raman characteristic peaks of the substrate material were detected, and it was found that there were no obvious characteristic peaks in the target characteristic peak area After subtracting the background baseline, a characteristic peak was observed at 707 ± 5 cm −1 , 33 which corresponds to the intense breathing vibration of the triazine ring of melamine and its analogues. This finding is significant because conventional detection is typically based on the characteristic peak at 707 cm −1 .…”