Vibrational Spectroscopic Estimation of Semivolatile Organic Compound Evaporation From Glass Surfaces

Abstract

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 Fouriertransform 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.

Detection of benzalkonium chloride on glass surfaces using silver nanoparticles

“…A thin‐film of BAC was prepared on the glass according to our recent report, 25 with a slight modification. A cover glass was cleaned in piranha solution for 2 h and then washed with distilled water from a Millipore Direct‐Q 5 system (Burlington, USA).…”

“…Vibrational analysis methods including Fourier‐transform infrared (FT‐IR), Raman, and surface‐enhanced Raman scattering (SERS) spectroscopy are a variety of the most powerful and useful tools used for analyzing BAC, 23 DNA damage in living cells, 24 semi‐volatile organic compounds, 25 dual cardiac biomarkers, 26 and nitrile‐containing small molecules 27 . Recently, detection of quaternary ammonium surfactants have been performed using enhanced infrared 28,29 and Raman 30–32 spectroscopic tools.…”

“…DFT calculations have not only permitted the determination of close connections between theory and experimental research, but also provided significant information on the geometric shape, binding energy, and spectroscopic properties of analytes 39,40 . In particular, DFT may be used to identify the vibrational frequencies on IR and Raman spectra of semi‐volatile organic compounds such as benzothiazole 25 . Despite a series of efforts to detect BAC using highly sensitive diagnostic tools, a more efficient method with facile implementation would still be useful for estimating BAC in terms of human and environmental safety.…”

Surface-Enhanced Raman Sensing of Semi-Volatile Organic Compounds by Plasmonic Nanostructures

“…Therefore, evaluating harmful health effects of their emissions inducing exposure from sources to indoor air is important. Authors have studied the evaporation of BZT from glass surfaces by combining AuNP-based SERS sensor and gas-phase infrared spectrum [44]. BZT exposure early warning is among the major concerns of environmental researchers.…”

“…Some researchers have investigated the synthesis of different sized nanospheres of noble materials and various shapes of non-spherical particles. For example, various nanostructured materials have been discovered, including AuNPs [44], Ag nanocubes [45], Au nanostars [46], and Ag nanoplates [47]. Both metal and non-metallic nanostructures and nanohybrids such as graphene oxide (GO)-anisotropic noble metal hybrid [38] and Ag nanoplate-deposited SiO 2 /Si wafer [48] have been developed to enhance the signal of SERS.…”