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Journal ArticleDOI

Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer.

Nicholas J. Hestand, +1 more
- 17 Apr 2018 - 
- Vol. 118, Iss: 15, pp 7069-7163
TLDR
This review outlines advances made in understanding the relationship between aggregate structure and photophysics when vibronic coupling and intermolecular charge transfer are incorporated.
Abstract
The electronic excited states of molecular aggregates and their photophysical signatures have long fascinated spectroscopists and theoreticians alike since the advent of Frenkel exciton theory almost 90 years ago. The influence of molecular packing on basic optical probes like absorption and photoluminescence was originally worked out by Kasha for aggregates dominated by Coulombic intermolecular interactions, eventually leading to the classification of J- and H-aggregates. This review outlines advances made in understanding the relationship between aggregate structure and photophysics when vibronic coupling and intermolecular charge transfer are incorporated. An assortment of packing geometries is considered from the humble molecular dimer to more exotic structures including linear and bent aggregates, two-dimensional herringbone and “HJ” aggregates, and chiral aggregates. The interplay between long-range Coulomb coupling and short-range charge-transfer-mediated coupling strongly depends on the aggregate ...

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Citations
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Gaussian process regression for absorption spectra analysis of molecular dimers

TL;DR: In this article , an approach based on a machine learning technique, where the parameters for the numerical calculations are chosen from Gaussian Process Regression (GPR), is presented. But the approach does not converge to an optimal parameter set, but provides information about the complete parameter space, which allows for example to identify extended parameter regions where numerical spectra are consistent with the experimental one.
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Cooperative subwavelength molecular quantum emitter arrays

TL;DR: In this paper , the authors provide analytical and numerical results on the modification of super and sub-radiance in molecular rings of dipoles including excitations of the vibrational degrees of freedom.
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Arrangements of Fluorophores in the Salts of Imidazole Tethered Anthracene Derivative with Pyridinedicarboxylic Acids Influencing Photoluminescence

TL;DR: The selfassemblies of 9-N-(3-imidazolylpropylamino)methylanthracene (Hanthraimida) with pyridinedicarboxylic acid and cocrystals with 1,3-dihydroxybenzenes were analysed to sort out their impacts on the aggregation induced emissions in solid state as discussed by the authors .
Journal ArticleDOI

Photovoltaic Effect in Phthalocyanine-Based Organic Solar Cells: 2. Trapping of Molecular Excitons by Impurities

TL;DR: In this paper, a diffusion-controlled bimolecular reaction model was proposed to determine the ME trapping rate at a fixed impurity concentration NI in terms of the diffusion length lS, the minimum radius of approach of partners a0, and the Forster radius RS.
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Unequal Perylene Diimide Twins in a Quadruple Assembly.

TL;DR: In this paper , four octatrayne-bridged ortho-perylene diimide (PDI) dyads self-assemble into a quadruple assembly (POP)4 both in solution and in the solid state.
References
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Journal ArticleDOI

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