Photoionization spectroscopy of CH3C3N in the vacuum-ultraviolet range - Université de Rennes Accéder directement au contenu
Article Dans Une Revue Journal of Molecular Spectroscopy Année : 2015

Photoionization spectroscopy of CH3C3N in the vacuum-ultraviolet range

Résumé

Using vacuum-ultraviolet (VUV) synchrotron radiation, threshold and dissociative photoionization of cyanopropyne (CH3C3N) in the gas phase have been studied from 86 000 cm−1 up to 180 000 cm−1 by recording Threshold-PhotoElectron Spectrum (TPES) and PhotoIon Yield (PIY). Ionization energies of the four lowest electronic states X̃+2E,Ã+2A1,B̃+2E and C̃+ of CH3C3N+ are derived from the TPES with a better accuracy than previously reported. The adiabatic ionization potential of CH3C3N is measured as 86872±20 cm−1. A description of the vibrational structure of these states is proposed leading to the first determination of the vibrational frequencies for most modes. The vibrational assignments of the X̃+ state are supported by density functional theory calculations. In addition, dissociative photoionization spectra have been recorded for several cationic fragments in the range 12–15.5 eV (96 790–125 000 cm−1) and they bring new information on the photophysics of CH3C3N+. Threshold energies for the cationic dissociative channels leading to CH2C3N+, CHC3N+, HC3H+, HCNH+ and CH3+ have been measured for the first time and are compared with quantum chemical calculations.
Fichier principal
Vignette du fichier
Photoionization spectroscopy of CH3C3N.pdf (619.16 Ko) Télécharger le fichier
Origine Fichiers produits par l'(les) auteur(s)
Loading...

Dates et versions

hal-01138635 , version 1 (04-11-2015)

Identifiants

Citer

N. Lamarre, C. Falvo, C. Alcaraz, B. Cunha de Miranda, S. Douin, et al.. Photoionization spectroscopy of CH3C3N in the vacuum-ultraviolet range. Journal of Molecular Spectroscopy, 2015, 315, pp.206-216. ⟨10.1016/j.jms.2015.03.005⟩. ⟨hal-01138635⟩
191 Consultations
194 Téléchargements

Altmetric

Partager

Gmail Mastodon Facebook X LinkedIn More