Photophysics of fluorinated benzene. III. Hexafluorobenzene

A theoretical study of the photoabsorption spectroscopy of hexafluorobenzene (HFBz) is presented in this paper. The chemical effect due to fluorine atom substitution on the electronic structure of benzene (Bz) saturates in HFBz. State- of-the-art quantum chemistry calculations are carried out to est...

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Veröffentlicht in:	The Journal of chemical physics 2012-08, Vol.137 (5), p.054311-054311
Hauptverfasser:	Mondal, T, Reddy, S Rajagopala, Mahapatra, S
Format:	Artikel
Sprache:	eng
Schlagworte:	Absorption spectra Benzene Electron states Electronics Emission Joining Origins Quantum chemistry
Online-Zugang:	Volltext
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