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

被引：53

作者：

Costa, Jean C. S. ^{[1
]}

Ando, Romulo A. ^{[1
]}

Sant'Ana, Antonio C. ^{[2
]}

Corio, Paola ^{[1
]}

机构：

[1] Univ Sao Paulo, Inst Quim, Sao Paulo, Brazil

[2] Univ Fed Juiz de Fora, Dept Quim, Juiz De Fora, MG, Brazil

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2012年 / 14卷 / 45期

基金：

巴西圣保罗研究基金会;

关键词：

SILVER NANOCUBES; SCATTERING; GOLD; SERS; NANOPARTICLES;

D O I：

10.1039/c2cp42496g

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：15645 / 15651

页数：7