Electrochemical and computational study of copper (ii) alkylpyrazolone based enamine complex

• Y MORENO ^[1] ; J BELMAR ^[1] ; F BROVELLI ^[1] ; A BULJAN ^[1] ; O PEÑA ^[2] ; L MORENO ^[3]
  1. [1] Universidad de Concepción

     Universidad de Concepción

     Comuna de Concepción, Chile

     
  2. [2] Université de Rennes 1
  3. [3] Facultad de Ciencias Depto. Cs. Básicas

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• Localización: Journal of the Chilean Chemical Society (Boletín de la Sociedad Chilena de Química), ISSN-e 0717-6309, ISSN 0366-1644, Vol. 53, Nº. 4, 2008, págs. 1689-1693
• Idioma: inglés
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• Resumen

  • The cyclic voltammograms (CV) of the copper complex CuL2, L: C19H26N(3)0 [1-(n-hexyl)-3-methyl-4-[1-phenylaminopropylidene]-2-pyrazolin-5-one] have been studied. The CV profiles of CuL2 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 CuL2 have been determined experimentally from the first oxidation and reduction onset potential, respectively. These valúes were also estimated from Density Functional calculations. The electrochemical energy gap deduced from these measurements (Eg~1.03 eV) agrees quite well with the theoretical value.