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    STUDIA PHYSICA - Issue no. 2 / 2005  
         
  Article:   INFRARED ABSORPTION, RAMAN AND SERS INVESTIGATIONS OF 2, 1-BENZISOXAZOLE.

Authors:  M. BAIA, L. BAIA.
 
       
         
  Abstract:  Surface-enhanced Raman spectrum of 2, 1-benzisoxazole in activated silver colloid was recorded and compared with the normal Raman spectrum. The experimentally observed Raman bands together with their corresponding infrared bands were assigned based on the results of density functional theory (DFT) calculations. The significant changes evidenced between the SER and normal Raman spectra proved that this molecule is adsorbed on the colloidal silver particles through the lone pair electrons of the nitrogen atom. The orientation of the adsorbed species with respect to the metal surface was also predicted.  
         
     
         
         
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