Molecular electronics and electrochemistry of heterocyclic compounds

• Grant number: 22/08575-1
• Support Opportunities: Scholarships abroad - Research Internship - Doctorate (Direct)
• Effective date (Start): February 08, 2023
• Effective date (End): February 07, 2024
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Paulo Roberto Bueno
• Grantee: Erika Viviana Godoy Alarcon
• Supervisor: Maria Manuela Marques Raposo
• Host Institution: Instituto de Química (IQ). Universidade Estadual Paulista (UNESP). Campus de Araraquara. Araraquara , SP, Brazil
• Research place: Universidade do Minho (UMinho), Portugal
• Associated to the scholarship: 19/27510-5 - Molecular electronics of organic compounds, BP.DD

Abstract

Push-pull heteroaromatic À-conjugated systems, framed by an intramolecular charge transfer between donor (D) and acceptor (A) states intermediated by a À molecular bridgerepresents a promising field of research in molecular electronics mainly due to unique properties emerging at the molecular size scale, where quantum effects governs the dynamics of electron transport. These properties can be "conveniently tailored" by changing their molecular electronic structure by synthesis of different heterocyclic molecular systems. The applications range from energy storage up to sensing devices. However, the control of properties at the molecular scale remains a challenge mainly because quantumelectrodynamics are not totally understood, therefore the study of electrodynamics that rulesthe electro-optical characteristics of these molecular systems continues to be an active field of research. Following the quantum rate theory of the interface, developed in our research group, it has been possible to measure electrodynamics characteristics of these systems as well ast their electronic structure provided it is chemically attached to electrodes. The quantum rate theory has been developed to study redox switches as 1D and graphene as 2D molecular systems. Also, it has been possible to access the properties of nanostructuredsemiconductive films. Accordingly, in this research project, we propose to synthesize heterocyclic À-conjugated derivatives with a structural feature that permits to build up tailored molecular junctions where the push-pull molecule and the electrode are chemically integrated. This will allow us to access electrodynamic of the interface (or of the molecular junctions), permitting us to test the quantum rate theory for designing new sensing methods of small molecules and ions, in particular. This research project will be supervised by Professor Maria Manuela Marques Raposo in the University of Minho and will be carried out in her research group. She has a broad experience in the synthesis, characterization and evaluation of push-pull heteroaromatic À-conjugated molecules for several optoeletronic and medicinal applications. (AU)