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    STUDIA PHYSICA - Issue no. 1 / 2008  
         
  Article:   METAL-CHELATING COMPOUND INVESTIGATED BY RAMAN SPECTROSCOPY.

Authors:  VASILE CHIŞ, N. LEOPOLD, L. SZABÓ, I.B. COZAR, A. PÎRNĂU. 		 
       
         
  Abstract:  Raman and SERS spectra of 4-(2-pyridylazo) resorcinol (PAR) molecule and its metal (Zn(II), Cu(II), Mn(II)) complexes were recorded using a hydroxylamine reduced silver colloid. Complete assignments of experimental spectra were made by using the B3LYP/6-31G(d) theoretical results. The calculated molecular electrostatic potential (MEP) for PAR molecule shows that the most negative regions are associated with the two oxygen and three nitrogen atoms. Differentiation between PAR complexes with Cu(II), Zn(II), Mn(II) is shown by the SERS spectral features of each complex.

Keywords. Raman spectroscopy, SERS spectra, Molecular potential 		 
         
     
         
         
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