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 …

Heterocyclic nanographenes and other polycyclic heteroaromatic compounds: synthetic routes, properties, and applications

M Stepien, E Gonka, M Żyła, N Sprutta - Chemical reviews, 2017 - ACS Publications
Two-dimensionally extended, polycyclic heteroaromatic molecules (heterocyclic
nanographenes) are a highly versatile class of organic materials, applicable as functional …

Perylene diimide-based Hj-and hJ-aggregates: the prospect of exciton band shape engineering in organic materials

A Oleson, T Zhu, IS Dunn, D Bialas, Y Bai… - The Journal of …, 2019 - ACS Publications
The exciton band dispersion in π-stacks of conjugated organic chromophores is a critical
factor in determining the photophysical response and transport properties. In such stacks …

[HTML][HTML] Interference between Coulombic and CT-mediated couplings in molecular aggregates: H-to J-aggregate transformation in perylene-based π-stacks

NJ Hestand, FC Spano - The Journal of chemical physics, 2015 - pubs.aip.org
The spectroscopic differences between J and H-aggregates are traditionally attributed to the
spatial dependence of the Coulombic coupling, as originally proposed by Kasha. However …

Extended-charge-transfer excitons in crystalline supramolecular photocatalytic scaffolds

NJ Hestand, RV Kazantsev… - Journal of the …, 2016 - ACS Publications
Coupling among chromophores in molecular assemblies is responsible for phenomena
such as resonant energy transfer and intermolecular charge transfer. These processes are …

HJ-aggregate behavior of crystalline 7, 8, 15, 16-tetraazaterrylene: Introducing a new design paradigm for organic materials

H Yamagata, DS Maxwell, J Fan… - The Journal of …, 2014 - ACS Publications
Absorption and photoluminescence properties of terrylene derivative 7, 8, 15, 16-
tetraazaterrylene (TAT) in its solution and crystal phases have revealed rather unusual …

Polarized absorption in crystalline pentacene: theory vs experiment

NJ Hestand, H Yamagata, B Xu, D Sun… - The Journal of …, 2015 - ACS Publications
The polarized absorption spectra of crystalline pentacene are obtained for excitation normal
to the ab herringbone plane by measuring transmitted light in ultrathin crystals. The spectral …

Crystal-phase transitions and photocatalysis in supramolecular scaffolds

RV Kazantsev, AJ Dannenhoffer… - Journal of the …, 2017 - ACS Publications
The energy landscape of a supramolecular material can include different molecular packing
configurations that differ in stability and function. We report here on a thermally driven …

[HTML][HTML] Vibronic exciton model for low bandgap donor–acceptor polymers

M Balooch Qarai, X Chang, FC Spano - The Journal of Chemical …, 2020 - pubs.aip.org
A vibronic exciton model is introduced to describe the excited state band structure and
associated absorption spectra of low bandgap donor–acceptor conjugated polymers. The …

Symmetry-breaking charge separation and null aggregates

FC Spano - The Journal of Physical Chemistry C, 2024 - ACS Publications
The relationship between symmetry-breaking charge separation (SB-CS) and null
aggregate (NA) formation in molecular dimer complexes is investigated theoretically, with …