Electron transfer in molecular systems.

• Grant number: 99/01890-0
• Support Opportunities: Scholarships abroad - Research
• Start date: August 02, 1999
• End date: August 01, 2001
• Field of knowledge: Physical Sciences and Mathematics - Physics - Atomic and Molecular Physics
• Principal Investigator: Sergio Minoru Urahata
• Grantee: Sergio Minoru Urahata
• Host Investigator: Michael C. Zerner
• Host Institution: Pessoa Física
• Institution abroad: University of Florida, Gainesville (UF), United States

Abstract

Electron transfer occurs in very many chemical and biochemical processes. It is at the heart of many bio-catalytic processes such as enzyme catalysis and photosysnthesis, and in the design of modem electronic devices, such as OLED, composite materials containing electron donors, emitting chromophores and electron acceptors in a layered configuration. We propose to examine electron transfer in these processes using linearized quantum chemistry modelling the environment both as a reaction field responding to the transfer, and through mixed quantum/classical models. (AU)