Subgap two-photon states in polycyclic aromatic hydrocarbons: Evidence for strong electron correlations

Karan Aryanpour, Adam Roberts, Arvinder Sandhu, Rajendra Rathore, Alok Shukla, Sumit Mazumdar

Research output: Contribution to journalArticle

20 Scopus citations

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 languageEnglish (US)
Pages (from-to)3331-3339
Number of pages9
JournalJournal of Physical Chemistry C
Volume118
Issue number6
DOIs
StatePublished - Feb 13 2014

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Energy(all)
  • Physical and Theoretical Chemistry
  • Surfaces, Coatings and Films

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