Sci. Adv. Today 2 (2016) 25261  
  Research Article  
   
   
         
Vibrational spectra, assignments, and normal coordinate analysis of hexachloroacetone  
  Sayyed Faramarz Tayyari, Mahboobeh Gholamhoseinpour and Saeedreza Emamian  
     
Department of Chemistry, Shahrood Branch, Islamic Azad University, Shahrood, Iran
   
  Abstract  
  The FTIR and Raman spectra of 1,1,1,3,3,3-hexachloroacetone (HCA) have been recorded. The observed frequencies were assigned to the various modes of vibrations on the basis of normal coordinate analysis, assuming C2 point group symmetry. The potential energy distribution associated with normal modes is also reported here. The fundamental vibrational frequencies calculated at the B2PLYP/6-31G(d) level agree well with the observed Raman and FTIR frequencies.  
     
   
  Cite this article as:  
  Sayyed Faramarz Tayyari, Mahboobeh Gholamhoseinpour and Saeedreza Emamian, Vibrational spectra, assignments, and normal coordinate analysis of hexachloroacetone, Sci. Adv. Today 2 (2016) 25261.