Abstract
ABSTRACT The cyclic voltammograms (CV) of the copper complex CuL 2 , L: C 19 H 26 N 3 O [1-(n-hexyl)-3-methyl-4-[1-phenylaminopropylidene]-2-pyrazolin-5-one] have been studied. The CV profiles of CuL 2 show one or two reduction and oxidation wave. The energy level corresponding to the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of CuL 2 have been determined experimentally from the first oxidation and reduction onset potential, respectively. These values were also estimated from Density Functional calculations. The electrochemical energy gap deduced from these measurements (E g ~ 1.03 eV) agrees quite well with the theoretical value.e-mail: ymoreno@udec.cl INTRODUCTION Pyrazolones are an important family of organic compounds. 1, 2 They have been widely studied as a consequence of their numerous applications 3-6 and in particular as chelating agents for solvent extraction of various metal ions. 7,8 Schiff bases 9 and enamines derived from pyrazolones
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