Abstract
Strong electron correlation effects in the photophysics of quasi-one-dimensional π-conjugated organic systems such as polyenes, polyacetylenes, polydiacetylenes, etc., have been extensively studied. Far less is known on correlation effects in two-dimensional π-conjugated systems. Here we present theoretical and experimental evidence for moderate repulsive electron-electron interactions in a number of finite polycyclic aromatic hydrocarbon molecules with D6h symmetry. We show that the excited state orderings in these molecules are reversed relative to that expected within one-electron and mean-field theories. Our results reflect similarities as well as differences in the role and magnitude of electron correlation effects in these two-dimensional molecules compared to those in polyenes.
Original language | English (US) |
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Pages (from-to) | 3331-3339 |
Number of pages | 9 |
Journal | Journal of Physical Chemistry C |
Volume | 118 |
Issue number | 6 |
DOIs | |
State | Published - Feb 13 2014 |
ASJC Scopus subject areas
- Electronic, Optical and Magnetic Materials
- Energy(all)
- Physical and Theoretical Chemistry
- Surfaces, Coatings and Films