Laboratory gas-phase vibrational spectra of [C3H3]+ isomers and isotopologues by IRPD spectroscopy

• Gas phase vibrational spectra of [C3H3]+ isomers and their fully deuterated isotopologues measured in a cryogenic 22-pole ion trap are presented. The widely tunable free electron laser for infrared experiments, FELIX, was employed to cover the frequency range 500–2400 cm−1, complemented with an OPO/OPA system covering 2800–3400 cm−1. Spectral assignments for both the linear and cyclic isomeric form (H2C3H+ and c-C3H3+, respectively) are made based on various high-level computational studies. The effect of ion source conditions and different precursors (allene and propargyl chloride) for the preferential production of a specific isomer is discussed. The perturbation of the vibrational band position due to complexation with neon in the recorded infrared-predissociation (IRPD) spectra are also reported in this study.

Ämnesord

NATURVETENSKAP  -- Fysik (hsv//swe)

NATURAL SCIENCES  -- Physical Sciences (hsv//eng)

Nyckelord

Astrochemistry

Molecular ions

Cryogenic ion trap

Titan

Vibrational spectra

Publikations- och innehållstyp

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art (ämneskategori)