development of surface-enhanced Raman scattering (SERS) as a prospective analytical methodology for detection of metal ions was shown in recent years by several studies on metal complexes. In this work, 1-(2-pyridylazo)-2-naphthol (PAN) and its Al(III), Mn(II), Fe(III), Cu(II), Zn(II) and Pb(II) complexes were studied by FTIR, FT-Raman and surface enhanced Raman spectroscopies. Molecular geometry optimization
近年来,对
金属配合物的多项研究表明,表面增强拉曼散射(
SERS)作为一种检测
金属离子的前瞻性分析方法已得到发展。在这项工作中,1-(2-
吡啶偶氮)-
2-萘酚(
PAN)及其Al(III),Mn(II),Fe(III),Cu(II),Zn(II)和Pb(II)络合物由FTIR,FT-拉曼光谱和表面增强拉曼光谱学研究。使用
PAN分子及其双齿配合物的杂化B3LYP交换相关函数进行分子几何优化,分子静电势(MEP)分布和振动频率计算。计算出的MEP分布表明原子具有最高的电负性,通过这些原子发生的
银表面吸附。