Vibrations of the low energy states of toluene (X super(1)A sub(1) and A super(1)B sub(2)) and the toluene cation (X super(2)B sub(1))

We commence by presenting an overview of the assignment of the vibrational frequencies of the toluene molecule in its ground (S0) state. The assignment given is in terms of a recently proposed nomenclature, which allows the ring-localized vibrations to be compared straightforwardly across different...

Ausführliche Beschreibung

Bibliographische Detailangaben

Veröffentlicht in:	The Journal of chemical physics 2013-01, Vol.138 (13)
Hauptverfasser:	Gardner, Adrian M, Green, Alistair M, Tame-Reyes, Victor M, Wilton, Victoria HK, Wright, Timothy G
Format:	Artikel
Sprache:	eng
Schlagworte:	Cations Density functional theory Ionization Mathematical analysis Spectra Spectroscopy Toluene Vibration
Online-Zugang:	Volltext
Tags:	Tag hinzufügen Keine Tags, Fügen Sie den ersten Tag hinzu!