Vibrational Spectroscopic Estimation of Semivolatile Organic Compound Evaporation From Glass Surfaces

摘要

The evaporation of the semivolatile organic compound (SVOC) benzothiazole (BZT) from glass surfaces has been estimated by means of surface-enhanced Raman scattering (SERS) and gas-phase Fourier-transform infrared (FTIR) spectroscopy. The FTIR spectrum in the gas cell indicates the presence of BZT in the air. The density functional theory (DFT) of the vibrational spectra of BZT was tested using the B3LYP/6-311G++(d,p) basis sets with potential energy distribution (PED) analysis. The BZT thin film could be investigated using SERS by dropping a gold nanoparticle (AuNP) solution on glass surfaces. The intensified modes in the SERS spectra suggest the plausible binding modes of BZT via its N_(11) atom on AuNPs. A decrease in the SERS spectra indicate a substantial evaporation of BZT. The concentration of BZT in the air could be estimated as low as ~0.8% according to the infrared spectra after 24 h.