Normal Coordinate Analysis Of Hexachloroacetone

Hexachloroacetone (HCA) is used in synthesis [1,2] and as pesticide [3]. The vibrationalspectra of this compound has not been considered yet. However, electron diffraction studyindicates a C2 structure for HCA [4]. According to this study the C=O, C-C, and C-Cl bondlengths are 1.184, 1.574, 1.764 Å, respectively. The measurements of dipole moments in theCCl4 solution and as neat liquid give 1.24 and 1.34 Debye, respectively [5].The aim of present work is measuring the vibrational spectra of HCA, calculating thepotential energy distribution (PED), and normal coordinate analysis of vibrationalfrequencies of HCA.