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
More filters
Journal ArticleDOI
Spectra and nature of the electronic states of [1]Benzothieno[3,2-b][1]benzothiophene (BTBT): Single crystal and the aggregates.
Irena Deperasińska,Marzena Banasiewicz,Paweł Gawryś,O. Morawski,Joanna Olas,Bolesław Kozankiewicz +5 more
TL;DR: In this article, the absorption, fluorescence, and phosphorescence spectra of single crystals of [1]benzothieno[3,2-b][1] benzothiophene (BTBT) and BTBT dispersed in frozen n-nonane, n-hexadecane, and dichloromethane matrices were studied at 5 K.
Journal ArticleDOI
Counterion Control and the Spectral Signatures of Polarons, Coupled Polarons, and Bipolarons in Doped P3HT Films
Eric C. Wu,Charlene Z. Salamat,Omar Ruiz,Thomas Qu,Alexis Kim,Sarah H. Tolbert,Benjamin J. Schwartz +6 more
TL;DR: In this article , the effects of counterion position on the formation of polarons, strongly coupled polarons and bipolarons using both spectroscopic and X-ray diffraction experiments and time-dependent density functional theory calculations were investigated.
Journal ArticleDOI
Mapping Simulated Two-Dimensional Spectra to Molecular Models Using Machine Learning.
TL;DR: In this paper , the capacity of simple feed-forward neural networks (NNs) to map simulated 2D electronic spectra to underlying physical Hamiltonians was studied, and the NNs were able to correctly characterize most Hamiltonian parameters with an accuracy above 90%.
Journal ArticleDOI
Bone analysis using an aggregation‐induced emission‐active iridium complex
Xianpeng Zhang,Xinling Liu,Hongwen Yu,Junchao Zhi,Jingqi Xin,Jiaqi Song,Liang Shao,Caiting Meng,Feifei An,Shichang Liu,Li Xu,Guanying Li +11 more
TL;DR: In this article , an aggregation-induced emission (AIE)-active iridium(III) complex (Ir-BP2) was proposed for bone analysis, which is highly selective, convenient, nondestructiveness, and dual-mode staining agent.
Book ChapterDOI
Thiophenes and Their Benzo Derivatives: Structure
TL;DR: In this paper , the double aromatic/biradicaloid and quinoidal properties of thiophene molecules and their benzo-derivatives are discussed and discussed in detail.
References
More filters
Journal ArticleDOI
Detailed Balance Limit of Efficiency of p‐n Junction Solar Cells
TL;DR: In this article, an upper theoretical limit for the efficiency of p−n junction solar energy converters, called the detailed balance limit of efficiency, has been calculated for an ideal case in which the only recombination mechanism of holeelectron pairs is radiative as required by the principle of detailed balance.
Journal ArticleDOI
Coherence in Spontaneous Radiation Processes
TL;DR: In this article, the authors considered a radiating gas as a single quantum-mechanical system, and the energy levels corresponding to certain correlations between individual molecules were described, where spontaneous emission of radiation in a transition between two such levels leads to the emission of coherent radiation.
Journal ArticleDOI
Organic Thin Film Transistors for Large Area Electronics
TL;DR: In this article, the authors present new insight into conduction mechanisms and performance characteristics, as well as opportunities for modeling properties of organic thin-film transistors (OTFTs) and discuss progress in the growing field of n-type OTFTs.
Journal ArticleDOI
Charge transport in organic semiconductors.
Veaceslav Coropceanu,Jérôme Cornil,Demetrio A. da Silva Filho,Yoann Olivier,Robert J. Silbey,Jean-Luc Brédas +5 more
TL;DR: Electronic Coupling in Oligoacene Derivatives: Factors Influencing Charge Mobility, and the Energy-Splitting-in-Dimer Method 3.1.