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


Autoria(s): Costa, Jean Claudio Santos; Ando, Rômulo Augusto; Sant'Ana, Antonio C.; Corio, Paola
Contribuinte(s)

UNIVERSIDADE DE SÃO PAULO

Data(s)

29/10/2013

29/10/2013

2012

Resumo

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.

FAPESP

FAPESP

CNPq

CNPq

CAPES

CAPES

Identificador

PHYSICAL CHEMISTRY CHEMICAL PHYSICS, CAMBRIDGE, v. 14, n. 45, pp. 15645-15651, DEC, 2012

1463-9076

http://www.producao.usp.br/handle/BDPI/36488

10.1039/c2cp42496g

http://dx.doi.org/10.1039/c2cp42496g

Idioma(s)

eng

Publicador

ROYAL SOC CHEMISTRY

CAMBRIDGE

Relação

PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Direitos

openAccess

Copyright ROYAL SOC CHEMISTRY

Palavras-Chave #SILVER NANOCUBES #SCATTERING #NANOPARTICLES #GOLD #SERS #NANOSHELLS #DENSITY #FIELDS #CHEMISTRY, PHYSICAL #PHYSICS, ATOMIC, MOLECULAR & CHEMICAL
Tipo

article

original article

publishedVersion