Subgap two-photon states in polycyclic aromatic hydrocarbons

Evidence for strong electron correlations

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

Research output: Contribution to journalArticle

19 Citations (Scopus)

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

Fingerprint

Electron correlations
Polycyclic Aromatic Hydrocarbons
polycyclic aromatic hydrocarbons
Polycyclic aromatic hydrocarbons
Polyenes
Photons
Molecules
photons
Polyacetylenes
Electron-electron interactions
Mean field theory
electrons
Crystal symmetry
Excited states
molecules
polyacetylene
electron scattering
Electrons
symmetry
excitation

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 journalArticle

@article{4866fc02c742472abfdae5ff834fe1af,
title = "Subgap two-photon states in polycyclic aromatic hydrocarbons: Evidence for strong electron correlations",
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.",
author = "Karan Aryanpour and Adam Roberts and Sandhu, {Arvinder Singh} and Rajendra Rathore and Alok Shukla and Sumitendra Mazumdar",
year = "2014",
month = "2",
day = "13",
doi = "10.1021/jp410793r",
language = "English (US)",
volume = "118",
pages = "3331--3339",
journal = "Journal of Physical Chemistry C",
issn = "1932-7447",
publisher = "American Chemical Society",
number = "6",

}

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.

UR - http://www.scopus.com/inward/record.url?scp=84894038613&partnerID=8YFLogxK

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 -