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Bonded Excimer in Stacked Cytosines: A Semiclassical Simulation Study
Joint Authors
Dou, Yusheng
Yuan, Shuai
Wu, Weifeng
She, Jiajie
Allen, Roland E.
Source
International Journal of Photoenergy
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-6, 6 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-02-22
Country of Publication
Egypt
No. of Pages
6
Main Subjects
Abstract EN
The formation of a covalent bond between two stacked cytosines, one of which is excited by an ultrafast laser pulse, was studied by semiclassical dynamics simulations.
The results show that a bonded excimer is created, which sharply lowers the energy gap between the LUMO and HOMO and consequently facilitates the deactivation of the electronically excited molecule.
This is different from the case of two stacked adenines, where the formation of a covalent bond alters the nonadiabatic deactivation mechanism in two opposite ways.
It lowers the energy gap and consequently leads to the coupling between the HOMO and LUMO levels, thus enhancing the deactivation of the electronically excited molecule.
On the other hand, it leads to restriction of the deformation vibration of the pyrimidine in the excited molecule, because of a steric effect, and this delays the deactivation process of the excited adenine molecule with return to the electronic ground state.
American Psychological Association (APA)
Wu, Weifeng& Yuan, Shuai& She, Jiajie& Dou, Yusheng& Allen, Roland E.. 2015. Bonded Excimer in Stacked Cytosines: A Semiclassical Simulation Study. International Journal of Photoenergy،Vol. 2015, no. 2015, pp.1-6.
https://search.emarefa.net/detail/BIM-1066655
Modern Language Association (MLA)
Wu, Weifeng…[et al.]. Bonded Excimer in Stacked Cytosines: A Semiclassical Simulation Study. International Journal of Photoenergy No. 2015 (2015), pp.1-6.
https://search.emarefa.net/detail/BIM-1066655
American Medical Association (AMA)
Wu, Weifeng& Yuan, Shuai& She, Jiajie& Dou, Yusheng& Allen, Roland E.. Bonded Excimer in Stacked Cytosines: A Semiclassical Simulation Study. International Journal of Photoenergy. 2015. Vol. 2015, no. 2015, pp.1-6.
https://search.emarefa.net/detail/BIM-1066655
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1066655