Journal ArticleDOI
Expanded Theory of H- and J-Molecular Aggregates: The Effects of Vibronic Coupling and Intermolecular Charge Transfer.
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 ...read more
Citations
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Journal ArticleDOI
Self-Assembly of an Amphiphilic Bile Acid Dimer: A Combined Experimental and Theoretical Study of Its Medium-Responsive Fluorescence.
Gerardo I. Santiago-Sampedro,Andrés Aguilar-Granda,Aaron Torres-Huerta,Marcos Flores-Alamo,Mauricio Maldonado-Domínguez,Braulio Rodríguez-Molina,Martín A. Iglesias-Arteaga +6 more
TL;DR: In this article , the synthesis and aggregation behavior of a dimeric bile acid derivative in which two steroid cores are bridged by a p-di(phenylethynyl)phenylene fluorophore was described.
Journal ArticleDOI
Theory of exciton transport in molecular crystals strongly coupled to a cavity: A temperature-dependent variational approach
Jingyu Liu,Qing Zhao,Ning Wu +2 more
TL;DR: In this paper, the authors derived an exciton mobility expression in the framework of a temperature-dependent variational canonical transformation, which can cover a wide range of excitonvibration coupling, exciton-cavity coupling, and temperatures.
Journal ArticleDOI
Quantum dynamical study of inter-chain exciton transport in a regioregular P3HT model system at finite temperature: HJ vs H-aggregate models.
TL;DR: In this article , a model of regioregular poly(3-hexylthiophene), rr-P3HT, at finite temperature using the Multi-Layer Multi-Configuration Time-Dependent Hartree method for a system of up to 63 electronic states and 180 vibrational modes is presented.
Journal ArticleDOI
Solvent Effects on Ultrafast Charge Transfer Population: Insights from the Quantum Dynamics of Guanine‐Cytosine in Chloroform
TL;DR: In this paper , the population of the Guanine→Cytosine charge transfer state (GC•CT) was investigated in chloroform solution, and the effect of the solute/solvent electrostatic interactions on the energy of the CT state was analyzed.
Journal ArticleDOI
Electronic frustration, Berry’s phase interference and slow dynamics in some tight-binding systems coupled to harmonic baths
TL;DR: In this article , the authors investigated conical intersections in cyclic tight-binding system-bath Hamiltonians with an odd number of sites and a constant site-to-site coupling.
References
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Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
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Organic Thin Film Transistors for Large Area Electronics
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