Resistividades moleculares y propiedades electrónicas en alambres moleculares orgánicos del tipo dador-canal de conducción-aceptor.

Abstract

The determination and characterization of the physical chemical properties of the denominated molecular wires, belongs to a new and emergent research area known as molecular electronics. In this sense, we have studied molecular organic species that have showed intramolecular electronic charge transfer processes at long distances. This fact might be interpreted as a macroscopic conduction process. The aim of this thesis is the characterization of the electronic properties of intramolecular conduction and its molecular resistance. Both properties are related to one-domensional molecular wires. These are composed of an electron-donor and an electron-acceptor group and a π orbital conjugated system, called conduction channel, which works as physical connector between both groups. And this conjugated system acts as an monodirectional unit during the charge transfer process. Respecting, to the charge transfer process the latter is set up as an unidirectional conduction unity and is further composed of oligomers such as olefinic, imine and aza unities. This study was realized from an experimental and theoretical point of view, using spectroscopic techniques (IR, NMR, UV-Vis) and computational ab-initio and semiempirical calcultaion methods (AM1, ZINDO1, ZINDO/S-CIS). The results obtained allow us to characterize the role of the molecular wires regards to the charge transfer process, in both ground and excited electronic states, in accordance to its molecular architecture and electronic structure.