Theoretical investigation of the one-photon and two-photon absorption properties for star-shaped polycyclic aromatic based on oligothiophenes-functionalized truxene

摘要

Molecular geometries, one-photon and two-photon absorption properties of a series of star-shaped chromophores with oligothiophenes as the branches and a functionalized truxene as the core have been theoretically investigated using density functional theory and ZINDO-SOS method. The results indicate that the enlargement of the conjugation length of the system is an efficient way to increase the two-photon absorption cross section.