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.

Increasing the Yield of Photoinduced Charge Separation through Parallel Electron Transfer Pathways

1999 ◽  
Vol 03 (01) ◽  
pp. 32-44 ◽  
Author(s):  
NYANGENYA I. MANIGA ◽  
JOHN P. SUMIDA ◽  
SIMON STONE ◽  
ANA L. MOORE ◽  
THOMAS A. MOORE ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Quantum Yield ◽  
Charge Separation ◽  
Charge Recombination ◽  
Final State ◽  
Photoinduced Charge Separation ◽  
Electron Transfer Pathways ◽  
Artificial Photosynthetic ◽  
A Charge ◽  
Photoinduced Charge

A strategy for increasing the yield of long-lived photoinduced charge separation in artificial photosynthetic reaction centers which is based on multiple electron transfer pathways operating in parallel has been investigated. Excitation of the porphyrin moiety of a carotenoid ( C )–porphyrin ( P )–naphthoquinone (Q) molecular triad leads to the formation of a charge-separated state C ·+– P – Q ·− with an overall quantum yield of 0.044 in benzonitrile solution. Photoinduced electron transfer from the porphyrin first excited singlet state gives C – P ·+– Q ·− with a quantum yield of ~1.0. However, electron transfer from the carotenoid to the porphyrin radical cation to form the final state does not compete well with charge recombination of C – P ·+– Q ·−, reducing the yield. The related pentad C 3– P – Q features carotenoid, porphyrin and quinone moieties closely related to those in the triad. Excitation of this molecule gives a C ·+– P ( C 2)– Q ·− state with a quantum yield of 0.073. The enhanced yield is ascribed to the fact that three electron donation pathways operating in parallel compete with charge recombination. The yield does not increase by the statistically predicted factor of three owing to small differences in thermodynamic driving force between the two compounds.

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 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
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