Estimation of Electronic Coupling for Photoinduced Charge Separation and Charge Recombination Using the Fragment Charge Difference Method

2013 ◽  
Vol 117 (6) ◽  
pp. 2670-2675 ◽  
Author(s):  
Alexander A. Voityuk
Keyword(s):  
Difference Method ◽  
Charge Separation ◽  
Charge Recombination ◽  
Electronic Coupling ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge

Photoinduced electron transfer in 5-bromouracil labeled DNA. A contrathermodynamic mechanism revisited by electron transfer theories

2019 ◽  
Vol 21 (8) ◽  
pp. 4387-4393 ◽  
Author(s):  
Lorenzo Cupellini ◽  
Paweł Wityk ◽  
Benedetta Mennucci ◽  
Janusz Rak
Keyword(s):  
Electron Transfer ◽  
Charge Separation ◽  
Photoinduced Electron Transfer ◽  
Charge Recombination ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge

Neither the rates of photoinduced charge separation nor charge recombination account for the substantial damage observed in the 5′-ABrU sequence.

scholarly journals Direct estimation of the transfer integral for photoinduced electron transfer from TD DFT calculations

2017 ◽  
Vol 19 (46) ◽  
pp. 31007-31010 ◽  
Author(s):  
Lluís Blancafort ◽  
Alexander A. Voityuk
Keyword(s):  
Electron Transfer ◽  
Dft Calculations ◽  
Charge Separation ◽  
Photoinduced Electron Transfer ◽  
Simple Approach ◽  
Electronic Coupling ◽  
Td Dft ◽  
Photoinduced Charge Separation ◽  
Transfer Integral ◽  
Photoinduced Charge

A simple approach to estimate the electronic coupling for photoinduced charge separation in materials and biomolecules is proposed.

scholarly journals Dipole-Mediated Rectification of Intramolecular Photoinduced Charge Separation and Charge Recombination

2014 ◽  
Vol 136 (37) ◽  
pp. 12966-12973 ◽  
Author(s):  
Duoduo Bao ◽  
Srigokul Upadhyayula ◽  
Jillian M. Larsen ◽  
Bing Xia ◽  
Boriana Georgieva ◽  
...  
Keyword(s):  
Charge Separation ◽  
Charge Recombination ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge

Photoinduced charge separation in a carotenoid-porphyrin-diquinone tetrad: enhancement of quantum yields via control of electronic coupling

1993 ◽  
Vol 176 (2-3) ◽  
pp. 321-336 ◽  
Author(s):  
Seung-Joo Lee ◽  
Janice M. DeGraziano ◽  
Alisdair N. Macpherson ◽  
Eun-Ju Shin ◽  
Pamela K. Kerrigan ◽  
...  
Keyword(s):  
Charge Separation ◽  
Quantum Yields ◽  
Electronic Coupling ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge

Occurrence of photoinduced charge separation by the modulation of the electronic coupling between pyrene dimers and chemically converted graphenes

2017 ◽  
Vol 53 (6) ◽  
pp. 1025-1028 ◽  
Author(s):  
Tomokazu Umeyama ◽  
Jinseok Baek ◽  
Junya Mihara ◽  
Nikolai V. Tkachenko ◽  
Hiroshi Imahori
Keyword(s):  
Charge Separation ◽  
Electronic Coupling ◽  
Exciplex Formation ◽  
Photoinduced Charge Separation ◽  
A Charge ◽  
Photoinduced Charge

The photoexcitation of the pyrene dimer on graphene resulted in the final formation of a charge-separated (CS) state following an exciplex formation, while that of the pyrene monomer on graphene generated the corresponding exciplex solely.

Photoinduced Charge-Separation and Charge-Recombination Processes of Oligo(thienyleneethynyl)–Fullerene Dyad Molecules

2006 ◽  
Vol 79 (12) ◽  
pp. 1860-1868 ◽  
Author(s):  
Mamoru Fujitsuka ◽  
Takashi Makinoshima ◽  
Atushi Takamizawa ◽  
Yasuyuki Araki ◽  
Osamu Ito ◽  
...  
Keyword(s):  
Charge Separation ◽  
Charge Recombination ◽  
Recombination Processes ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge

Dynamics of Photoinduced Charge Separation and Charge Recombination in Synthetic DNA Hairpins with Stilbenedicarboxamide Linkers

2000 ◽  
Vol 122 (12) ◽  
pp. 2889-2902 ◽  
Author(s):  
Frederick D. Lewis ◽  
Taifeng Wu ◽  
Xiaoyang Liu ◽  
Robert L. Letsinger ◽  
Scott R. Greenfield ◽  
...  
Keyword(s):  
Charge Separation ◽  
Charge Recombination ◽  
Dna Hairpins ◽  
Synthetic Dna ◽  
Photoinduced Charge Separation ◽  
Photoinduced Charge
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