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  Journal of Spectroscopy and Dynamics 2012, 2: 12
  Research Article
 
Raman, SERS and theoretical study of (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, codeine
  Guillermo Diaz Fleming, Ursula Martínez Ortiz  
     
Molecular and Atomic Spectroscopy Laboratory, Department of Chemistry, Faculty of Sciences, University of Playa Ancha, Valparaiso, Casilla 34-V, Chile
   
  Abstract  
  Raman and Surface Enhanced Raman Scattering (SERS) spectra of (5a,6a)-7,8-didehydro-4,5-epoxy-3-methoxy-17-methylmorphinan-6-ol, codeine, have been recorded . Density Functional Theory with the B3LYP functional was used for the optimizations of the ground state geometries and simulation of Raman and SERS vibrational spectra of this molecule. Bands of the vibrational spectra were assigned in detail. The comparison of SERS spectra obtained by using colloidal silver nanoparticles, with the corresponding Raman spectrum reveals enhancement and shifts in bands, providing a partial charge transfer mechanism in the SERS effect, allowing to obtain information about the orientation of codeine on the nm-sized metal structures.
     
  Keywords  
  Codeine; Raman; SERS; DFT calculations  
     
   
   
   
   
     

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