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) |
|---|---|
| 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 |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Electronic, Optical and Magnetic Materials
- Surfaces, Coatings and Films
- Energy(all)
Cite this
Subgap two-photon states in polycyclic aromatic hydrocarbons : Evidence for strong electron correlations. / Aryanpour, Karan; Roberts, Adam; Sandhu, Arvinder Singh; Rathore, Rajendra; Shukla, Alok; Mazumdar, Sumitendra.
In: Journal of Physical Chemistry C, Vol. 118, No. 6, 13.02.2014, p. 3331-3339.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Subgap two-photon states in polycyclic aromatic hydrocarbons
T2 - Evidence for strong electron correlations
AU - Aryanpour, Karan
AU - Roberts, Adam
AU - Sandhu, Arvinder Singh
AU - Rathore, Rajendra
AU - Shukla, Alok
AU - Mazumdar, Sumitendra
PY - 2014/2/13
Y1 - 2014/2/13
N2 - 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.
AB - 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.
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UR - http://www.scopus.com/inward/citedby.url?scp=84894038613&partnerID=8YFLogxK
U2 - 10.1021/jp410793r
DO - 10.1021/jp410793r
M3 - Article
VL - 118
SP - 3331
EP - 3339
JO - Journal of Physical Chemistry C
JF - Journal of Physical Chemistry C
SN - 1932-7447
IS - 6
ER -