Electronic spectrum of the protonated diacetylene cation (H2C4H(+)).
Identifieur interne : 000D36 ( Main/Exploration ); précédent : 000D35; suivant : 000D37Electronic spectrum of the protonated diacetylene cation (H2C4H(+)).
Auteurs : Katherine J. Catani [Australie] ; Giel Muller [Australie] ; Pavol Jusko [Allemagne] ; Patrice Theulé [France] ; Evan J. Bieske [Australie] ; Christophe Jouvet [France]Source :
- The Journal of chemical physics [ 1089-7690 ] ; 2017.
Abstract
The B̃(1)A1←X̃(1)A1 electronic band system of the protonated diacetylene cation (H2C4H(+)) is measured over the 230-295 nm range by photodissociating H2C4H(+) ions stored in a cryogenic ion trap and by photodissociating H2C4H(+) tagged with Ar and N2 in a tandem mass spectrometer. The B̃(1)A1←X̃(1)A1 band system has an origin at 34 941 cm(-1) for H2C4H(+), 34 934 cm(-1) for H2C4H(+)-Ar, and 34 920 cm(-1) for H2C4H(+)-N2. The spectra of H2C4H(+), H2C4H(+)-Ar, and H2C4H(+)-N2 display similar vibronic structure, which is assigned using ab initio calculations to progressions in two symmetric a1 C-C stretch vibrational modes (ν6 and ν4), with band spacings of 860 and 1481 cm(-1), respectively.
DOI: 10.1063/1.4990572
PubMed: 28863531
Affiliations:
- Allemagne, Australie, France
- District de Cologne, Provence-Alpes-Côte d'Azur, Rhénanie-du-Nord-Westphalie, Victoria (État)
- Cologne, Marseille, Melbourne
- Université d'Aix-Marseille, Université de Cologne, Université de Melbourne
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<front><div type="abstract" xml:lang="en">The B̃(1)A1←X̃(1)A1 electronic band system of the protonated diacetylene cation (H2C4H(+)) is measured over the 230-295 nm range by photodissociating H2C4H(+) ions stored in a cryogenic ion trap and by photodissociating H2C4H(+) tagged with Ar and N2 in a tandem mass spectrometer. The B̃(1)A1←X̃(1)A1 band system has an origin at 34 941 cm(-1) for H2C4H(+), 34 934 cm(-1) for H2C4H(+)-Ar, and 34 920 cm(-1) for H2C4H(+)-N2. The spectra of H2C4H(+), H2C4H(+)-Ar, and H2C4H(+)-N2 display similar vibronic structure, which is assigned using ab initio calculations to progressions in two symmetric a1 C-C stretch vibrational modes (ν6 and ν4), with band spacings of 860 and 1481 cm(-1), respectively.</div>
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