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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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Journal ArticleDOI

Determination of the supramolecular arrangement of Dinaphtho[2,3-b:2′,3′-f]thieno[3,2-b]thiophene films fabricated by Physical Vapour Deposition and possible implications for electronic devices

TL;DR: In this paper , the supramolecular arrangement of organic thin films of DNTT (DNTT PVD films) fabricated by Physical Vapor Deposition (PVD) was determined.
Journal ArticleDOI

Influence of Intermolecular Packing on Light Emitting Efficiency and Carrier‐Mobility of Organic Semiconductors: Theoretical Descriptor for Molecular Design

TL;DR: In this article , a universal descriptor I = 2teth/[(|te|+|th|)·|J|]$I\;{\bf = }2{t_{\rm{e}}}{t_{ \rm{h}}}/\left[ {(|t_{{e}}}|{\bf + }|{t{h}|)\cdot| J|} \right]$
Journal ArticleDOI

Vibrations Responsible for Luminescence from HJ-Aggregates of Conjugated Polymers Identified by Cryogenic Spectroscopy of Single Nanoparticles.

TL;DR: In this paper, the authors analyze the photoluminescence spectra of conjugated polymers and demonstrate that only one, mainly the lowest energy one, of the three dominant vibrational modes contributes to the 0-1 transition, whereas combinations of all three are found in the 0 -2 transition.
Journal ArticleDOI

Direct observation of defect modes in molecular aggregate analogs

TL;DR: In this article, defect modes localized at the ends and within the bulk of 1D metamaterial analogs of molecular aggregates are investigated in the microwave regime, where the cm scale of the analog provides an opportunity to directly probe the modes deep within their near fields in ways not easily achieved in molecular systems.
Journal ArticleDOI

Influence of core-twisted structure on singlet fission in perylenediimide film

TL;DR: In this article , the authors investigated the relationship between molecular packing and singlet fission (SF) properties in two perylenediimide (PDI) films with different molecular arrangements and showed that the introduction of substituents onto the bay position of PDI may be a good choice to tune the PDI packing for achieving long-lived triplets.
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