Tunable photophysical properties of thiophene based chromophores: a conjoined experimental and theoretical investigation

2019 ◽  
Vol 43 (17) ◽  
pp. 6728-6736 ◽  
Author(s):  
Anna Popczyk ◽  
Yohan Cheret ◽  
Anna Grabarz ◽  
Piotr Hanczyc ◽  
Piotr Fita ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Photophysical Properties ◽  
Donor Acceptor

Synthesis and theoretical investigation of six donor–acceptor thiophene based derivatives with tunable photophysical properties.

Photophysical Properties of N-Methyl and N-Acetyl Substituted Alloxazine: A Theoretical Investigation

2021 ◽  
Author(s):  
Huimin Guo ◽  
Xiaolin Ma ◽  
Zhiwen Lei ◽  
Yang Qiu ◽  
Bernhard Dick ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Time Dependent ◽  
Functional Theory ◽  
Td Dft ◽  
Dependent Density

The electronic structure and photophysical properties of a series of N-Methyl and N-Acetyl substituted alloxazine (AZs) were investigated with extensive density functional theory (DFT) and time-dependent density functional theory (TD-DFT)...

Synthesis, photophysical properties, and computational studies of benzothiadiazole and/or phenothiazine based donor/acceptor π-conjugated copolymers

2021 ◽  
Vol 28 (7) ◽  
Author(s):  
Ashraf A. El-Shehawy ◽  
Morad M. El-Hendawy ◽  
Adel M. Attia ◽  
Abdul-Rahman I. A. Abdallah ◽  
Nabiha I. Abdo
Keyword(s):  
Photophysical Properties ◽  
Computational Studies ◽  
Donor Acceptor ◽  
Conjugated Copolymers

scholarly journals Effect of molecular weight on the properties and organic solar cell device performance of a donor–acceptor conjugated polymer

2015 ◽  
Vol 6 (12) ◽  
pp. 2312-2318 ◽  
Author(s):  
Zeyun Xiao ◽  
Kuan Sun ◽  
Jegadesan Subbiah ◽  
Tianshi Qin ◽  
Shirong Lu ◽  
...  
Keyword(s):  
Molecular Weight ◽  
Solar Cell ◽  
Conjugated Polymer ◽  
Organic Solar Cell ◽  
Photophysical Properties ◽  
Device Performance ◽  
Solar Cell Device ◽  
Donor Acceptor

The effect of molecular weight of a conjugated polymer on its photophysical properties and solar cell device performance was investigated.

Photoactive Homomolecular bis(n)-Lophine dyads: Multicomponent synthesis, Photophysical properties, Theoretical investigation, Docking and interaction studies with biomacromolecules

2021 ◽  
pp. 118084
Author(s):  
Viktor Saraiva Câmara ◽  
Otávio Augusto Chaves ◽  
Bruno Bercini de Araújo ◽  
Paulo Fernando Bruno Gonçalves ◽  
Bernardo Almeida Iglesias ◽  
...  
Keyword(s):  
Theoretical Investigation ◽  
Photophysical Properties ◽  
Multicomponent Synthesis ◽  
Interaction Studies

Theoretical investigation of the electronic structure and photophysical properties of a series of Ir(iii) complexes bearing pentafluorosulfanyl groups

2019 ◽  
Vol 43 (25) ◽  
pp. 9916-9923 ◽  
Author(s):  
Jing Gao ◽  
Xin Li ◽  
Deming Han ◽  
Jiawei Li ◽  
Xiaohong Shang
Keyword(s):  
Density Functional Theory ◽  
Electronic Structure ◽  
Theoretical Investigation ◽  
Density Functional ◽  
Photophysical Properties ◽  
Emission Spectra ◽  
Time Dependent ◽  
Functional Theory ◽  
Ancillary Ligands ◽  
Dependent Density

The electronic structure, absorption and emission spectra, charge injection/transport ability and phosphorescence quantum efficiency of a series of cyclometalated iridium(iii) complexes with different ancillary ligands are studied using density functional theory (DFT) and time-dependent density functional theory (TDDFT) methods.

scholarly journals Subphthalocyanine–tetracyanobuta-1,3-diene–aniline conjugates: stereoisomerism and photophysical properties

2019 ◽  
Vol 10 (48) ◽  
pp. 10997-11005 ◽  
Author(s):  
Kim A. Winterfeld ◽  
Giulia Lavarda ◽  
Julia Guilleme ◽  
Dirk M. Guldi ◽  
Tomás Torres ◽  
...  
Keyword(s):  
Physicochemical Properties ◽  
Electron Donor ◽  
Photophysical Properties ◽  
Donor Acceptor

We report the stereoisomerism and physicochemical properties of two novel electron donor–acceptor conjugates based on subphthalocyanines decorated at their peripheral, or peripheral/axial positions with multiple tetracyanobutadiene–aniline moieties.

Aggregation-controlled excimer emission in an axial anthracene–Sn(iv)porphyrin–anthracene triad in the solid and solution phases

2015 ◽  
Vol 39 (5) ◽  
pp. 4100-4108 ◽  
Author(s):  
Soumyajit Dey ◽  
Pritam Mondal ◽  
Sankar Prasad Rath
Keyword(s):  
Photophysical Properties ◽  
Excimer Emission ◽  
Donor Acceptor

An anthracene–porphyrin donor–acceptor triad has been synthesized and its photophysical properties along with excimer behavior are investigated.

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