Voltammetric determination of the frontier orbitals of Pd(II) complexes for their potential application in optoelectronic devices.
Abstract
The determination of the frontier orbitals (HOMO and LUMO) of a pair of organometallic compounds (PdCl2L and PdBr2L) is reported. This type of compounds have gained great interest due to their promising properties and application in optoelectronics, since they combine the advantages of organic and inorganic materials, their potential use is largely determined by the values of their frontier orbitals. Among the methods used to know this information, cyclic voltammetry is considered, which allows to determine indirectly these energy levels by determining the potentials of the beginning of the oxidation and reduction processes of the molecules under study. The PdCl2L and PdBr2L complexes were characterized by the mentioned method, and with the data obtained the frontier orbitals and bandgap were calculated. According to the results, the values are within the range reported for semiconductors, indicating that the complexes are viable to be used in the fabrication of optoelectronic devices.
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