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Marimuthu, A. N., Sundelin, D., Thorwirth, S., Redlich, B., Geppert, W. & Brünken, S. (2020). Laboratory gas-phase vibrational spectra of [C3H3]+ isomers and isotopologues by IRPD spectroscopy. Journal of Molecular Spectroscopy, 374, Article ID 111377.
Open this publication in new window or tab >>Laboratory gas-phase vibrational spectra of [C3H3]+ isomers and isotopologues by IRPD spectroscopy
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2020 (English)In: Journal of Molecular Spectroscopy, ISSN 0022-2852, E-ISSN 1096-083X, Vol. 374, article id 111377Article in journal (Refereed) Published
Abstract [en]

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.

Keywords
Astrochemistry, Molecular ions, Cryogenic ion trap, Titan, Vibrational spectra
National Category
Physical Sciences
Identifiers
urn:nbn:se:su:diva-191643 (URN)10.1016/j.jms.2020.111377 (DOI)000605622300001 ()
Available from: 2021-03-30 Created: 2021-03-30 Last updated: 2025-04-02Bibliographically approved
Identifiers
ORCID iD: ORCID iD iconorcid.org/0000-0001-7175-4828

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