Insight into the morphology, pore structure and sorption properties of 4-hydroxy-3-nitrophenylacetic acid imprinted poly(acrylic acid-co-ethylene glycol dimethacrylate) sorbent.
#Gausssum for raman free
The geometry of these molecules on the SERS-active silver surfaces is deduced from the observed changes in both the intensity and width of the Raman bands in the spectra of the bound species relative to the free species. The experimental and calculated vibrational bands are compared to those from SERS for the investigated compounds adsorbed on colloidal and roughened silver surfaces.
#Gausssum for raman software
The vibrational wavenumbers are calculated through density functional theory (DFT) at the B3LYP/6-31++G** level with the Gaussian 03, Raint, GaussSum 0.8, and GAR2PED software packages. The SERS spectra were deconvoluted to determine the overlapped bands from which the specific molecular orientation can be deducted.
This work presents Fourier transform Raman (FT-Raman), Fourier transform absorption infrared (FT-IR), and surface-enhanced Raman scattering (SERS) spectroscopic investigations of three m-nitrophenyl α-guanidinomethylphonic acids, including m-NO 2PhG(cHex)P, m-NO 2PhG(Morf)P, and m-NO 2PhG(An)P, adsorbed onto colloidal and roughened silver surfaces.
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