The surface enhanced Raman scattering （SERS） technique has been developed greatly since its first discovery nearly twenty-nine years ago. It is a very attractive technique for the detection of various organic and in...The surface enhanced Raman scattering （SERS） technique has been developed greatly since its first discovery nearly twenty-nine years ago. It is a very attractive technique for the detection of various organic and inorganic molecules due to its sensitivity and selectivity. However, the most critical aspect for performing a SERS experiment is the choice and fabrication of the substrates. For many yeas, SERS has been still restricted primarily to the usage of detecting analytes adsorbed onto coinage（Au, Ag or Cu） or alkali（ Li, Na or K） rough metallic surfaces. Recently, Quagliano reported SERS from molecules adsorbed on InAs/GaAs semiconductor quantum dots for the first time. Until now, few reports on semiconductor materials as the SERS substrates have been noted. Herein, we report our successful attempt to gain high signal-to-noise ratio （S/N） SERS spectra of 4-mercaptopyridine （ 4-Mpy ） adsorbed on Pb3O4 nanopaticles.展开更多
The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine（4MPY） monomer and its dihydrate were studied by means of the density functional theory（ DFT）, viz. B3LYP method with the 6-311 ...The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine（4MPY） monomer and its dihydrate were studied by means of the density functional theory（ DFT）, viz. B3LYP method with the 6-311 ＋ ＋ G （d,p） basis set. On the basis of the calculations, the assignments of the vibrational spectra of the monomer and the dihydrate were performed, and so were investigated the changes in the structure and the vibrational spectrum of the di- hydrate as well as the intermolecular force resulting in the formation of the dihydrate. The calculated results show that each of the water molecule planes is vertical to the pyridine ring plane in the dihydrate that is formed via the H-bonds between 4MPY and water molecules. Furthermore, the structure and the vibrational spectrum of 4MPY can be considerably affected by the water molecules.展开更多
文摘The surface enhanced Raman scattering （SERS） technique has been developed greatly since its first discovery nearly twenty-nine years ago. It is a very attractive technique for the detection of various organic and inorganic molecules due to its sensitivity and selectivity. However, the most critical aspect for performing a SERS experiment is the choice and fabrication of the substrates. For many yeas, SERS has been still restricted primarily to the usage of detecting analytes adsorbed onto coinage（Au, Ag or Cu） or alkali（ Li, Na or K） rough metallic surfaces. Recently, Quagliano reported SERS from molecules adsorbed on InAs/GaAs semiconductor quantum dots for the first time. Until now, few reports on semiconductor materials as the SERS substrates have been noted. Herein, we report our successful attempt to gain high signal-to-noise ratio （S/N） SERS spectra of 4-mercaptopyridine （ 4-Mpy ） adsorbed on Pb3O4 nanopaticles.
文摘The optimized molecular structures and vibrational frequencies of 4-mercaptopyridine（4MPY） monomer and its dihydrate were studied by means of the density functional theory（ DFT）, viz. B3LYP method with the 6-311 ＋ ＋ G （d,p） basis set. On the basis of the calculations, the assignments of the vibrational spectra of the monomer and the dihydrate were performed, and so were investigated the changes in the structure and the vibrational spectrum of the di- hydrate as well as the intermolecular force resulting in the formation of the dihydrate. The calculated results show that each of the water molecule planes is vertical to the pyridine ring plane in the dihydrate that is formed via the H-bonds between 4MPY and water molecules. Furthermore, the structure and the vibrational spectrum of 4MPY can be considerably affected by the water molecules.
