20th Brazilian Workshop On Semiconductor Physics

Session

Oral

16 sept. 2022, 10:10

Instituto Tecnológico de Aeronáutica

Documents de présentation

Francisco Machado_Abstract_BWSP_new.pdf

67. Excited states, stability and polyradicaloid character of periacenes and modified periacenes

Prof. Francisco B. C. Machado (Instituto Tecnológico de Aeronáutica)

16/09/2022 10:10

Abstract

The n-acenes are a class of polyaromatic hydrocarbons (PAHs) composed of linearly condensed benzene rings, resembling a quasi-1D graphene strip with zigzag boundaries. The two-dimensional structures are known as periacenes. The acenes with more than five linear benzene rings, are characterized by having a singlet open shell wave function in the ground state, showing that these...