Biswas, Partha ; Pandey, Prasenjit ; Chakraborty, Tapas (2008) Dispersed fluorescence spectroscopy of p-fluorophenol Chemical Physics Letters, 454 (4-6). pp. 163-170. ISSN 0009-2614
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Official URL: http://www.sciencedirect.com/science/article/pii/S...
Related URL: http://dx.doi.org/10.1016/j.cplett.2008.02.013
Abstract
The laser-induced fluorescence excitation and dispersed fluorescence spectra for S1 ↔ S0 transitions of p-fluorophenol have been measured in a supersonic free jet expansion. Assignments of the vibronic bands of the spectra have been suggested with the aid of the normal mode frequencies predicted by quantum chemistry calculations at DFT/B3LYP/6-311++G(d,p) and CASSCF/6-311G(d,p) levels of theory. Our study reveals that the modes in the excited state are extensively mixed, and the mixing involves the torsion of the phenolic –OH group.
| Item Type: | Article |
|---|---|
| Source: | Copyright of this article belongs to Elsevier Science. |
| ID Code: | 100470 |
| Deposited On: | 07 Dec 2016 11:30 |
| Last Modified: | 07 Dec 2016 11:30 |
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