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Updated: Jun 3, 2026

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Published on: March 20, 2015
Surface-enhanced Raman scattering and DFT investigation of Eriochrome Black T metal chelating compound
László Szabó1, Krisztian Herman, Nicolae Leopold
1Faculty of Physics, Babeş-Bolyai University, Cluj-Napoca, Romania. laszlo.szabo@phys.ubbcluj.ro
Abstract:
The surface-enhanced Raman scattering (SERS) spectra of Eriochrome Black T (EBT) and its Cu(II), Fe(III), Mn(II) and Pb(II) complexes were recorded using a hydroxylamine reduced silver colloid. Molecular geometry optimization, molecular electrostatic potential (MEP) distribution and vibrational frequencies calculation were performed at B3LYP/6-31G(d) level of theory for the EBT molecule and its Cu(EBT), Fe(EBT) and Mn(EBT) metal complexes. Differentiation between EBT complexes of Cu(II), Fe(III), Mn(II) and Pb(II) is shown by the SERS spectral features of each complex.
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