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
Keyword(s):  
Electronic Properties ◽  
Polymeric Materials ◽  
Conjugation Length ◽  
Optical And Electronic Properties ◽  
Donor Acceptor ◽  
Simple Models

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.

scholarly journals A combined study of mesomorphism, optical, and electronic properties of donor-acceptor columnar liquid crystals

2011 ◽  
Author(s):  
S. Holger Eichhorn ◽  
Shuai Chen ◽  
Mohamed Ahmida ◽  
Andrey Demenev ◽  
Himadri Kayal ◽  
...  
Keyword(s):  
Liquid Crystals ◽  
Electronic Properties ◽  
Optical And Electronic Properties ◽  
Donor Acceptor

Vice versa donor acceptor fluorene–ferrocene alternate copolymer: a twisted ribbon for electrical switching

2015 ◽  
Vol 51 (66) ◽  
pp. 13123-13126 ◽  
Author(s):  
Chanchal Chakraborty ◽  
Manas Kumar Bera ◽  
Utpal Rana ◽  
Sudip Malik
Keyword(s):  
Electronic Properties ◽  
Electrical Switching ◽  
Optical And Electronic Properties ◽  
Donor Acceptor

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.

scholarly journals Porphyrin-based donor-acceptor COFs as efficient and reusable photocatalysts for PET-RAFT polymerization under broad spectrum excitation

2021 ◽  
Author(s):  
Yifan Zhu ◽  
Dongyang Zhu ◽  
Yu Chen ◽  
Qianqian Yan ◽  
Chun-Yen Liu ◽  
...  
Keyword(s):  
Electronic Properties ◽  
Broad Spectrum ◽  
Organic Materials ◽  
Raft Polymerization ◽  
Covalent Organic Frameworks ◽  
Optical And Electronic Properties ◽  
Donor Acceptor ◽  
Spectrum Excitation ◽  
Structural Versatility

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)...

scholarly journals Nanoporous and nonporous conjugated donor–acceptor polymer semiconductors for photocatalytic hydrogen production

2021 ◽  
Vol 12 ◽  
pp. 607-623
Author(s):  
Zhao-Qi Sheng ◽  
Yu-Qin Xing ◽  
Yan Chen ◽  
Guang Zhang ◽  
Shi-Yong Liu ◽  
...  
Keyword(s):  
Charge Carrier ◽  
Electronic Properties ◽  
High Performance ◽  
Carrier Mobility ◽  
Material Design ◽  
Charge Carrier Mobility ◽  
Polymer Semiconductors ◽  
Optical And Electronic Properties ◽  
Donor Acceptor ◽  
Catalytic Mechanisms

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.

scholarly journals Research progress of polydiacetylene sensing materials in food biotechnology

2021 ◽  
Vol 261 ◽  
pp. 02090
Author(s):  
Hui Wang ◽  
Li Han ◽  
Weijuan Gong ◽  
Ranran Chu
Keyword(s):  
Electronic Properties ◽  
Organic Solvents ◽  
Visual Detection ◽  
Research Progress ◽  
Food Biotechnology ◽  
Colorimetric Response ◽  
Optical And Electronic Properties ◽  
Donor Acceptor ◽  
Biosensor Analysis ◽  
External Stimuli

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.

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

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>

1,1’-Biaceanthrylene and 2,2'-Biaceanthrylene: Models for Linking Larger Polycyclic Aromatic Hydrocarbons via Five-Membered Rings

2019 ◽  
Author(s):  
Yachu Du ◽  
Kyle Plunkett
Keyword(s):  
Polycyclic Aromatic Hydrocarbons ◽  
Polycyclic Aromatic Hydrocarbon ◽  
Aromatic Hydrocarbon ◽  
Electronic Properties ◽  
Aromatic Hydrocarbons ◽  
Model Systems ◽  
Redox Potentials ◽  
Dimer Model ◽  
Optical And Electronic Properties ◽  
Polycyclic Aromatic

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>

Molecular Generation Targeting Desired Electronic Properties via Deep Generative Models

2019 ◽  
Author(s):  
Qi Yuan ◽  
Alejandro Santana-Bonilla ◽  
Martijn Zwijnenburg ◽  
Kim Jelfs
Keyword(s):  
Neural Network ◽  
Electronic Properties ◽  
Transfer Learning ◽  
Recurrent Neural Network ◽  
Chemical Space ◽  
Generative Models ◽  
Molecular Features ◽  
Donor Acceptor ◽  
Homo Lumo ◽  
Training Sets

<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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