The STUDIA UNIVERSITATIS BABEŞ-BOLYAI issue article summary

The summary of the selected article appears at the bottom of the page. In order to get back to the contents of the issue this article belongs to you have to access the link from the title. In order to see all the articles of the archive which have as author/co-author one of the authors mentioned below, you have to access the link from the author's name.

  
       
         
    STUDIA PHYSICA - Issue no. 2 / 2014  
         
  Article:   VIBRATIONAL STUDY OF 1-PHENYL-PYRAZOLE AND 4-Me-1-PHENYL-PYRAZOLE COMPOUNDS.

Authors:  L. BAIA, J. POPP, M. BAIA. 		 
       
         
  Abstract:  Pyrazole derivatives are known as compounds that can be used in pharmacological and medical applications. In the present study a detailed vibrational analysis of two pyrazole derivatives, 1-phenyl-pyrazole and 4-Me-1-phenyl-pyrazole, was performed by means of Raman and infrared (IR) spectroscopy corroborated by density functional theory (DFT) simulations. The optimization of the investigated compounds’ geometry was initially obtained followed by a normal modes calculation. The obtained results showed a relatively good agreement between the experimental and theoretical data.

Keywords: pyrazole derivatives, Raman, SERS, DFT 		 
         
     
         
         
      Back to previous page