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- Title
Gas-Phase Infrared Action Spectroscopy of CH 2 Cl + and CH 3 ClH + : Likely Protagonists in Chlorine Astrochemistry.
- Authors
Thorwirth, Sven; Steenbakkers, Kim; Danowski, Timon; Schmid, Philipp C.; Bonah, Luis; Asvany, Oskar; Brünken, Sandra; Schlemmer, Stephan
- Abstract
Two fundamental halocarbon ions, CH2Cl+ and CH3ClH+, were studied in the gas phase using the FELion 22-pole ion trap apparatus and the Free Electron Laser for Infrared eXperiments (FELIX) at Radboud University, Nijmegen (the Netherlands). The vibrational bands of a total of four isotopologs, CH235,37Cl+ and CH335,37ClH+, were observed in selected wavenumber regions between 500 and 2900 cm−1 and then spectroscopically assigned based on the results of anharmonic force field calculations performed at the CCSD(T) level of theory. As the infrared photodissociation spectroscopy scheme employed probes singly Ne-tagged weakly bound complexes, complementary quantum-chemical calculations of selected species were also performed. The impact of tagging on the vibrational spectra of CH2Cl+ and CH3ClH+ is found to be virtually negligible for most bands; for CH3ClH+–Ne, the observations suggest a proton-bound structural arrangement. The experimental band positions as well as the best estimate rotational molecular parameters given in this work provide a solid basis for future spectroscopic studies at high spectral resolutions.
- Subjects
NIJMEGEN (Netherlands); NETHERLANDS; INFRARED spectroscopy; ASTROCHEMISTRY; FREE electron lasers; ION traps; CHLORINE; VIBRATIONAL spectra; INFRARED lasers
- Publication
Molecules, 2024, Vol 29, Issue 3, p665
- ISSN
1420-3049
- Publication type
Article
- DOI
10.3390/molecules29030665