AMBIENTUM BIOETHICA BIOLOGIA CHEMIA DIGITALIA DRAMATICA EDUCATIO ARTIS GYMNAST. ENGINEERING EPHEMERIDES EUROPAEA GEOGRAPHIA GEOLOGIA HISTORIA HISTORIA ARTIUM INFORMATICA IURISPRUDENTIA MATHEMATICA MUSICA NEGOTIA OECONOMICA PHILOLOGIA PHILOSOPHIA PHYSICA POLITICA PSYCHOLOGIA-PAEDAGOGIA SOCIOLOGIA THEOLOGIA CATHOLICA THEOLOGIA CATHOLICA LATIN THEOLOGIA GR.-CATH. VARAD THEOLOGIA ORTHODOXA THEOLOGIA REF. TRANSYLVAN
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Authors: LARISA MILENA ŢIMBOLMAŞ, VASILE CHIŞ.
DOI: 10.24193/subbphys.2017.07
Published Online: 2017-12-20
Published Print: 2017-12-20
pp. 73-85
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In this work we investigated computationally the photophysics of the perylene molecule using the time‐dependent Density Functional Theory (TD-DFT). Particularly, we were interested in the vertical emission energy and radiative fluorescence lifetime of the investigated molecule. Using adequate models and proper computational methodologies we were able to satisfactorily predict the experimentally reported photophysical properties of the perylene core.
Keywords: perylene; photophysics; excited state; TD‐DFT; radiative lifetime
