Theoretical studies on the contact distance dependence of the electron transfer reactivity of the ClO/ClO+ coupling system

2003 ◽  
Vol 27 (6) ◽  
pp. 1012 ◽  
Author(s):  
Shihai Yan ◽  
Yuxiang Bu ◽  
Lixiang Sun
Keyword(s):  
Electron Transfer ◽  
Theoretical Studies ◽  
Contact Distance ◽  
Coupling System ◽  
Distance Dependence

Insights into the Distance Dependence of Electron Transfer through Conformationally Constrained Peptides

2020 ◽  
Vol 7 (5) ◽  
pp. 1225-1237
Author(s):  
Claudio Zuliani ◽  
Fernando Formaggio ◽  
Laura Scipionato ◽  
Claudio Toniolo ◽  
Sabrina Antonello ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Conformationally Constrained ◽  
Distance Dependence ◽  
Constrained Peptides

THEORETICAL STUDIES ON THE COUPLING INTERACTIONS AND SELF-EXCHANGE REACTION MECHANISMS IN THE COMPLEXES OF NO WITH ONH AND NOH

2008 ◽  
Vol 07 (03) ◽  
pp. 435-446 ◽  
Author(s):  
PING LI ◽  
XIAOYAN XIE ◽  
YUXIANG BU ◽  
WEIHUA WANG ◽  
NANA WANG ◽  
...  
Keyword(s):  
Electron Transfer ◽  
Exchange Reaction ◽  
Reaction Mechanisms ◽  
Natural Bond Orbital ◽  
Theoretical Studies ◽  
Exchange Reactions ◽  
Electron Transfer Mechanism ◽  
Proton Coupled Electron Transfer ◽  
Planar Geometries ◽  
Transfer Mechanisms

The coupling interactions and self-exchange reaction mechanisms between NO and ONH (NOH) have been systematically investigated at the B3LYP/6-311++G** level of theory. All the equilibrium complexes are characterized by the intermolecular H-bonds and co-planar geometries. The cisoid NOH/ON species is the most stable one among all the complexes considered due to the formation of an N – N bond. Moreover, all the cisoid complexes are found to be more stable than the corresponding transoid ones. The origin of the blueshifts occurring in the selected complexes has been explored, employing the natural bond orbital (NBO) calculations. Additionally, the proton transfer mechanisms for the self-exchange reactions have been proposed, i.e. they can proceed via the three-center proton-coupled electron transfer or five-center cyclic proton-coupled electron transfer mechanism.

Electron transfer through RNA: Chemical probing of dual distance dependence

2011 ◽  
Vol 19 (22) ◽  
pp. 6881-6884 ◽  
Author(s):  
Tadao Takada ◽  
Yumiko Otsuka ◽  
Mitsunobu Nakamura ◽  
Kazushige Yamana
Keyword(s):  
Electron Transfer ◽  
Chemical Probing ◽  
Dual Distance ◽  
Distance Dependence

Theoretical studies of electron transfer through dendrimeric architecture

2006 ◽  
Vol 124 (4) ◽  
pp. 044909
Author(s):  
Dipankar Rana ◽  
Gautam Gangopadhyay
Keyword(s):  
Electron Transfer ◽  
Theoretical Studies

Four Aspects of the Distance Dependence of Electron-Transfer Rates

1982 ◽  
pp. 213-233 ◽  
Author(s):  
EPHRAIM BUHKS ◽  
RALPH G. WILKINS ◽  
STEPHAN S. ISIED ◽  
JOHN F. ENDICOTT
Keyword(s):  
Electron Transfer ◽  
Transfer Rates ◽  
Distance Dependence
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