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    STUDIA CHEMIA - Issue no. 4, Tom I / 2017  
         
  Article:   SYNTHESIS, CHARACTERIZATION AND MOLECULAR MODELING OF TRANSITION METAL COMPLEXES WITH THEOPHYLLINE.

Authors:  ATTILA-ZSOLT KUN, BETTINA CSURKA, FIRUTA GOGA, EDIT FORIZS, ADRIAN PATRUT.
 
       
         
  Abstract:  Mixed-ligand complexes of Cu(II) and Ni(II) with deprotonated theophylline (th) and propane-1,2-diamine (pda) were synthesized and characterized by elemental analysis, IR spectroscopy, and thermal analysis. Calculations and geometry optimization were made applying Mopac 2012 program at the level of semi-empirical method PM6.

Keywords: propane-1,2-diamine, theophylline, mixed-ligand complexes, PM6
 
         
     
         
         
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