Reddy, Sivaranjana V. ; Mahapatra, S. (2008) Photostability of electronically excited polyacenes: a case study of vibronic coupling in the naphthalene radical cation The Journal of Chemical Physics, 128 (9). Article ID 091104. ISSN 0021-9606
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Official URL: http://scitation.aip.org/content/aip/journal/jcp/1...
Related URL: http://dx.doi.org/10.1063/1.2885727
Abstract
Novel issues of electronic nonadiabatic coupling in the excited state dynamics of prototypical naphthalene radical cation of polycyclic aromatic hydrocarbon of the polyacene family are theoretically investigated. A benchmark ab initio quantum dynamical study is performed and its complex vibronic spectra and nonradiative decay are examined. The findings are in very good accord with the experiment, unambiguously establishing the crucial role of intricate electron-nuclear coupling in the photoinduced dynamical processes of this system.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to American Institute of Physics. |
| ID Code: | 98675 |
| Deposited On: | 23 Dec 2014 11:08 |
| Last Modified: | 23 Dec 2014 11:08 |
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