Thieno[3,4-b]pyrazine-based oligothiophenes: simple models of donor–acceptor polymeric materials

2014 ◽  
Vol 16 (16) ◽  
pp. 7231-7240 ◽  
Author(s):  
Li Wen ◽  
Christopher L. Heth ◽  
Seth C. Rasmussen

Thieno[3,4-b]pyrazine-based oligomers have been thoroughly investigated in order to correlate the effects of conjugation length and ‘donor–acceptor’ properties on the resulting optical and electronic properties.

2011 ◽  
Author(s):  
S. Holger Eichhorn ◽  
Shuai Chen ◽  
Mohamed Ahmida ◽  
Andrey Demenev ◽  
Himadri Kayal ◽  
...  

2015 ◽  
Vol 51 (66) ◽  
pp. 13123-13126 ◽  
Author(s):  
Chanchal Chakraborty ◽  
Manas Kumar Bera ◽  
Utpal Rana ◽  
Sudip Malik

Two donor–acceptor type copolymers (PFFC-1 and PFFC-2) containing ferrocene and fluorene moieties have been successfully synthesized to evaluate the redox triggered optical and electronic properties.


2021 ◽  
Author(s):  
Yifan Zhu ◽  
Dongyang Zhu ◽  
Yu Chen ◽  
Qianqian Yan ◽  
Chun-Yen Liu ◽  
...  

Covalent organic frameworks (COFs) are crystalline and porous organic materials attractive for photocatalysis applications due to their structural versatility and tunable optical and electronic properties. The use of photocatalysts (PCs)...


2021 ◽  
Vol 12 ◽  
pp. 607-623
Author(s):  
Zhao-Qi Sheng ◽  
Yu-Qin Xing ◽  
Yan Chen ◽  
Guang Zhang ◽  
Shi-Yong Liu ◽  
...  

Conjugated polymers (CPs) as photocatalysts have evoked substantial interest. Their geometries and physical (e.g., chemical and thermal stability and solubility), optical (e.g., light absorption range), and electronic properties (e.g., charge carrier mobility, redox potential, and exciton binding energy) can be easily tuned via structural design. In addition, they are of light weight (i.e., mainly composed of C, N, O, and S). To improve the photocatalytic performance of CPs and better understand the catalytic mechanisms, many strategies with respect to material design have been proposed. These include tuning the bandgap, enlarging the surface area, enabling more efficient separation of electron–hole pairs, and enhancing the charge carrier mobility. In particular, donor–acceptor (D–A) polymers were demonstrated as a promising platform to develop high-performance photocatalysts due to their easily tunable bandgaps, high charge carrier mobility, and efficient intramolecular charge transfer. In this minireview, recent advances of D–A polymers in photocatalytic hydrogen evolution are summarized with a particular focus on modulating the optical and electronic properties of CPs by varying the acceptor units. The challenges and prospects associated with D–A polymer-based photocatalysts are described as well.


2021 ◽  
Vol 261 ◽  
pp. 02090
Author(s):  
Hui Wang ◽  
Li Han ◽  
Weijuan Gong ◽  
Ranran Chu

Polydiacetylene (PDAs) is a special semiconductor polymer with an alternating conjugated structure of ene-acetylene and unique optical and electronic properties. Typically, PDAs change from blue to red in response to the external stimuli, such as temperature, pH, ions, organic solvents, pressure, and donor-acceptor interactions. This colorimetric response of PDAs makes them one of the excellent materials for chemical or biosensor analysis platforms. In this review, we briefly describe the research progress of polydiacetylene systems in the field of food biotechnology. The challenges and outlooks of PDAs sensing materials in visual detection of preservatives in food innovatively were also discussed.


2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>


2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett

We show that polycyclic aromatic hydrocarbon (PAH) chromophores that are linked between two five-membered rings can access planarized structures with reduced optical gaps and redox potentials. Two aceanthrylene chromophores were connected into dimer model systems with the chromophores either projected outward (2,2’-biaceanthrylene) or inward (1,1’-biaceanthrylene) and the optical and electronic properties were compared. Only the planar 2,2’-biaceanthrylene system showed significant reductions of the optical gaps (1 eV) and redox potentials in relation to the aceanthrylene monomer.<br>


2019 ◽  
Author(s):  
Qi Yuan ◽  
Alejandro Santana-Bonilla ◽  
Martijn Zwijnenburg ◽  
Kim Jelfs

<p>The chemical space for novel electronic donor-acceptor oligomers with targeted properties was explored using deep generative models and transfer learning. A General Recurrent Neural Network model was trained from the ChEMBL database to generate chemically valid SMILES strings. The parameters of the General Recurrent Neural Network were fine-tuned via transfer learning using the electronic donor-acceptor database from the Computational Material Repository to generate novel donor-acceptor oligomers. Six different transfer learning models were developed with different subsets of the donor-acceptor database as training sets. We concluded that electronic properties such as HOMO-LUMO gaps and dipole moments of the training sets can be learned using the SMILES representation with deep generative models, and that the chemical space of the training sets can be efficiently explored. This approach identified approximately 1700 new molecules that have promising electronic properties (HOMO-LUMO gap <2 eV and dipole moment <2 Debye), 6-times more than in the original database. Amongst the molecular transformations, the deep generative model has learned how to produce novel molecules by trading off between selected atomic substitutions (such as halogenation or methylation) and molecular features such as the spatial extension of the oligomer. The method can be extended as a plausible source of new chemical combinations to effectively explore the chemical space for targeted properties.</p>


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