Radicalar character, aromaticity and excited states of acenes by chemical doping with boron

• Grant number: 20/09091-2
• Support Opportunities: Scholarships in Brazil - Master
• Start date: March 01, 2021
• End date: February 28, 2023
• Field of knowledge: Physical Sciences and Mathematics - Chemistry - Physical-Chemistry
• Principal Investigator: Francisco Bolivar Correto Machado
• Grantee: Amanda Maria de Oliveira
• Host Institution: Divisão de Ciências Fundamentais (IEF). Instituto Tecnológico de Aeronáutica (ITA). Ministério da Defesa (Brasil). São José dos Campos , SP, Brazil

Abstract

The research project has as main goal the use of multiconfigurational Computational Quantum Chemistry methods to characterize the electronic structures of the electronic states and the radical character of the acenes structures chemically modified. Specifically, the derivatives of 9,10-Dihydro-9,10-diboroanthracenes. (AU)