Preparation And Applications Of Metallic Nanoparticles In Benzoxazines Derivatives With SERS Spectroscopy

Raman spectrum belongs to molecular spectrum which is produced by inelastic collision when the light shines on moleculars. It can provide us with a lot of informations of structure.It has been widely used in physics、biochemistry、catalysis、medical science and other domains. The preparation and the application of nanomaterials has been known for a long time. For gold or silver nanoparticle has unique photoelectric effect, it becomes a major concern.How to make relatively stable nanosystems aslo remains hot research areas. With the development of the computational chemistry, spectrum calculations become a well-established and important research area,at the same time they provide a reference solution for the spectrum.The main achievements of this thesis is totally devided into three parts:1:Gold and silver nanoparticles were synthesized with citrate reducer. On this condition,we synthesize Au/SiO2,Ag/SiO2core-shell nanoparticles. Finally we use them as substrate in Raman spectral research.2:4H-3,1-benzoxazines were synthesized via Passerini reaction and intramolecular aza-Wittig reaction and their Raman spectroscopies were studied.They were used as the probe molecules. We discussed the state of their adsorption as well as the mechanism.3:The geometry of four moleculars were optimized at B3LYP/6-31G*level.The vibrational wavenumbers were calculated at same level using Gaussian03quantum chemistry programme. The vibration wavenumbers were assigned and compared to further confirm their structure from the point of view with experimental spectroscopy and theoretical spectroscopy.All these lay a foundation for the study of bioactivity.