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Issue 45, 2012
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Surface-enhanced Raman spectroscopy studies of organophosphorous model molecules and pesticides

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Abstract

This work reports the analytical application of surface-enhanced Raman spectroscopy (SERS) in the trace analysis of organophosphorous pesticides (trichlorfon and glyphosate) and model organophosphorous compounds (dimethyl methylphosphonate and o-ethyl methylphosphonothioate) bearing different functional groups. SERS measurements were carried out using Ag nanocubes with an edge square dimension of ca. 100 nm as substrates. Density functional theory (DFT) with the B3LYP functional was used for the optimization of ground state geometries and simulation of Raman spectra of the organophosphorous compounds and their silver complexes. Adsorption geometries and marker bands were identified for each of the investigated compound. Results indicate the usefulness of SERS methodology for the sensitive analyses of organophosphorous compounds through the use of vibrational spectroscopy.

Graphical abstract: Surface-enhanced Raman spectroscopy studies of organophosphorous model molecules and pesticides

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Publication details

The article was received on 20 Jul 2012, accepted on 19 Sep 2012 and first published on 24 Sep 2012


Article type: Paper
DOI: 10.1039/C2CP42496G
Phys. Chem. Chem. Phys., 2012,14, 15645-15651

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    Surface-enhanced Raman spectroscopy studies of organophosphorous model molecules and pesticides

    J. C. S. Costa, R. A. Ando, A. C. Sant'Ana and P. Corio, Phys. Chem. Chem. Phys., 2012, 14, 15645
    DOI: 10.1039/C2CP42496G

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