creating knowledge for future



High Quality


Scholarly Publishing
                CAREER NETWORK  
         
World's one of the largest Research
Career Network
Benefits
  •     Academic & Industry jobs
  •     Project funding
  •     Visiting faculty positions
  •     Visiting scientist positions
  •     Invited talks
  •     and more...  
   
Register FREE  
 
 
 
 
 
  Journal of Spectroscopy and Dynamics 2014, 4: 11
  Research Article
 
A bond polarizability interpretation of the Raman optical activity intensity: The case study of S 1-amino,2-propanol
  GuozhenWua, PeijieWangb  
     
a State Key Laboratory of Low-Dimensional Quantum Physics, Department of Physics, Tsinghua University, Beijing 100084, China
b The Beijing Key Laboratory for Nano-Photonics and Nano-Structure, Department of Physics, Capital Normal University, Beijing 100048, China

   
  Abstract  
  The Raman and Raman optical activity (ROA) intensities calculated by Gaussian09W software are analyzed by our semi-classical bond polarizability algorithm to interpret their physical significance. Our algorithm enables the extraction of the charges disturbed on the individual bonds from the Raman mode intensities. As a case study of S 1-amino 2-propanol, we found that during Raman excitation, charges are more aggregated on its O-H bond. The ROA mechanism based on the coupling between the electric and magnetic dipoles predicts that those bonds less parallel to the O-H bond will acquire more chiral activity. This is confirmed by our bond polarizability analysis. Our approach offers a classical way to comprehend the ROA phenomenon.
     
  Keywords  
  Raman intensity; Raman optical activity; Bond polarizability interpretation; S 1-amino 2-propanol  
     
   
   
   
   
     

  © 2016 Cognizure