Health & Environmental Research Online (HERO)


Print Feedback Export to File
4282806 
Journal Article 
Electronic spectrum of the protonated diacetylene cation (H2C4H+) 
Catani, KJ; Muller, G; Jusko, P; Theulé, P; Bieske, EJ; Jouvet, C 
2017 
Yes 
Journal of Chemical Physics
ISSN: 0021-9606
EISSN: 1089-7690 
147 
8 
084302 
English 
28863531 
WOS:000409143100014 
The B̃1A1←X̃1A1electronic 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 N2in a tandem mass spectrometer. The B̃1A1←X̃1A1band system has an origin at 34 941 cm-1for H2C4H+, 34 934 cm-1for H2C4H+-Ar, and 34 920 cm-1for H2C4H+-N2. The spectra of H2C4H+, H2C4H+-Ar, and H2C4H+-N2display similar vibronic structure, which is assigned using ab initio calculations to progressions in two symmetric a1C-C stretch vibrational modes (ν6and ν4), with band spacings of 860 and 1481 cm-1, respectively.