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The SERS Of Rat And Calf And The Study Of Raman Spectra On Cytosine

Posted on:2009-04-23Degree:MasterType:Thesis
Country:ChinaCandidate:H T WangFull Text:PDF
GTID:2120360278453380Subject:Optics
Abstract/Summary:PDF Full Text Request
As a powerful tool for analysis of molecule structure, raman spectroscopy have a wide range of applications in chemicals, materials, environmental, archaeological and biological medicine, and in many areas have achieved rapid development. It make an enormous contribution towards social development and progress.This article introduces the basic theory of raman and the development of various technologies related to raman spectroscopy, the application of raman spectra in animal serum analysis and performance testing for new-style material.The focus of this article is the molecular structure of cytosine by raman spectra and assignment of vibration mode for experimentation spectra with the help of theory data. The full text is divided into four parts.The first part introduce the basic theory of raman and various technology of raman spectroscopy, introduce the three main Raman spectrometer and the application technology of raman spectroscopy in various fields.On the second part, the application of raman spectra in animal serum analysis and performance testing for new-style material is showed. Find the most appropriate concentration for the raman spectra measurement of the mouse and calf serum, give facilities for access to mouse and calf serum Raman spectroscopy and the information of conformation. For the UV materials ZnO, the ruslte of raman spectra on surface characterization access to that measure by AFM.The third part introduces the basic theory of ab initio and density functional theory, andapplication of the basic conditions.Finally,raman spectra of cytosine in theoretical and experimental is researched, According to calculation result using DFT method at B3LYP/6-31+G(d,p) level, the molecular structure of cytosine is Cs symmetry, all the atoms of the molecular is in a plane, in theory presented important data for analysis the spectral of cytosine. Compare to the experimentation raman spectra, the RMS of the result of cytosine molecular freqense calcultion is 3.8cm-1. Assignment of vibration mode for experimentation raman spectra with the help of theory data, and offer theoretical basis for experimental results. It make better preparations for using raman spectroscopy study the molecular structure and surface characteristics of the material in future.
Keywords/Search Tags:Raman spectroscopy, Density fuction theroy, Cytosine
PDF Full Text Request
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