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With Raman Spectra Of The Solvent Effect Of Acetone Vibration Characteristics

Posted on:2005-08-30Degree:MasterType:Thesis
Country:ChinaCandidate:H Y HuoFull Text:PDF
GTID:2191360125460397Subject:Particle Physics and Nuclear Physics
Abstract/Summary:PDF Full Text Request
Raman spectrum is an important analytic method of modern laser spectral technique, for the sake of its special advantages(e.g. independent of molecular energy levels), it is applied widely in solution, gases, isotopes, elemental crystal and so on. In the recent years surface-enhanced raman spectrum, resonance raman spectrum technique etc. are developed in succession, and the laser raman spectrum is applied more and more in macromolecule structural analytic field, now raman spectral application involves chemical, physical and biological domain. In this paper analyzing mainly solute(acetone) molecular 24 normal vibration modes and its spectral properties by group theory, analyzing the vibrational frequency difference of the acetone in different conditions in virtue of Gaussian package, and attempting to describe qualitatively the raman spectral intensity in solution, I adopt mainly the Onsager model to study the solute vibrational frequencies changes, as are resulted from solvent-solute interaction, and compare it with the experimental datum in order to verify the validity of the theoretical analysis. We obtain conclusion: The 24 normal vibrational modes of acetone are all raman active, solvent effect leads to considerable changes for changes for vibrational frequencies, be contrary to previous viewpoint that raman intensity is proportional to solute concentration, we find the deviation of this trend when concentration changes.
Keywords/Search Tags:Raman Spectrum, C2v Symmetry, Normal Vibration, Solvent Effect, Self-Consistent Reaction Field, Onsager Model
PDF Full Text Request
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