Expanded theory of H-and J-molecular aggregates: the effects of vibronic coupling and intermolecular charge transfer

NJ Hestand, FC Spano - Chemical reviews, 2018 - ACS Publications
The electronic excited states of molecular aggregates and their photophysical signatures
have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel …

Interplay between intrachain and interchain interactions in semiconducting polymer assemblies: The HJ-aggregate model

H Yamagata, FC Spano - The Journal of chemical physics, 2012 - pubs.aip.org
A new model for analyzing the photophysics of polymer aggregates is introduced taking into
account exciton motion along a polymer chain and across polymer chains. Excitonic …

Absorption, circular dichroism, and photoluminescence in perylene diimide bichromophores: polarization-dependent H-and J-aggregate behavior

KA Kistler, CM Pochas, H Yamagata… - The Journal of …, 2012 - ACS Publications
Using a single-mode Holstein Hamiltonian with through-space excitonic couplings
evaluated quantum mechanically, the absorption, circular dichroism, and …

Designing J-and H-aggregates through wave function overlap engineering: applications to poly (3-hexylthiophene)

H Yamagata, CM Pochas… - The Journal of Physical …, 2012 - ACS Publications
A novel mechanism for J-and H-aggregate formation is presented on the basis of wave
function overlap (WFO) coupling between neighboring chromophores which supplements …

The red-phase of poly [2-methoxy-5-(2-ethylhexyloxy)-1, 4-phenylenevinylene](MEH-PPV): A disordered HJ-aggregate

H Yamagata, NJ Hestand, FC Spano… - The Journal of …, 2013 - pubs.aip.org
The ratio of the 0-0 to 0-1 peak intensities in the photoluminescence (PL) spectrum of red-
phase poly [2-methoxy-5-(2-ethylhexyloxy)-1, 4-phenylenevinylene], better known as MEH …

Coherent exciton transport driven by torsional dynamics: a quantum dynamical study of phenylene-vinylene type conjugated systems

R Binder, J Wahl, S Römer, I Burghardt - Faraday Discussions, 2013 - pubs.rsc.org
We present a quantum dynamical study of exciton transfer across a torsional defect that
locally breaks the π-conjugation in an oligo-(p-phenylene vinylene)(OPV) fragment. A site …

Vibronic relaxation energies of acene-related molecules upon excitation or ionization

M Andrzejak, P Petelenz - Physical Chemistry Chemical Physics, 2018 - pubs.rsc.org
With the perspective of future vibronic studies, ab initio calculations of the energies of
vibrational relaxation that follows the processes of singlet or triplet excitation, and positive or …

[HTML][HTML] Exciton dispersion in para-quaterphenyl: Significant molecular interactions beyond Coulomb coupling

L Graf, Y Krupskaya, B Büchner, M Knupfer - AIP Advances, 2021 - pubs.aip.org
We have experimentally determined the momentum dependence of the electronic excitation
spectra of para-quaterphenyl single crystals. The parallel arrangement of para-quaterphenyl …

Ultrafast exciton dynamics in dinaphtho [2, 3-b: 2′ 3′-f] thieno [3, 2-b]-thiophene thin films

Y Ishino, K Miyata, T Sugimoto, K Watanabe… - Physical Chemistry …, 2014 - pubs.rsc.org
Ultrafast dynamics of excitons in organic semiconductors is essential for a deep
understanding of the working mechanism of plastic opto-electronic devices. In this work …

Charge-transfer coupling of an embedded pentacene dimer with the surrounding crystal matrix

P Petelenz, M Snamina - The Journal of Physical Chemistry C, 2015 - ACS Publications
Singlet exciton fission in pentacene is commonly described in terms of the dimer model,
containing some adjustable parameters that implicitly account for the influence of the …