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RESEARCH PRODUCT
High-resolution rovibrational spectroscopy of c-C3H2+: The ν7 C–H antisymmetric stretching band
Sandra BrünkenPhilipp C. SchmidFilippo LippariniFilippo LippariniStephan SchlemmerJürgen GaussThomas SalomonCharles R. MarkusCharles R. MarkusShreyak BanhattiOskar Asvanysubject
010405 organic chemistryAntisymmetric relationChemistryOrganic ChemistryRotational–vibrational spectroscopy010402 general chemistry01 natural sciencesMolecular physics0104 chemical sciencesAnalytical ChemistryInorganic Chemistrysymbols.namesakesymbolsMoleculeIon trapGround stateHamiltonian (quantum mechanics)SpectroscopySpectroscopyExcitationdescription
Abstract The ν 7 antisymmetric C–H stretching fundamental of c- C 3 H 2 + has been characterized in a cryogenic 22-pole ion trap by a novel type of action spectroscopy, in which the rovibrational excitation of c- C 3 H 2 + is detected as a slowing down of the low-temperature reaction c- C 3 H 2 + + H2 → C 3 H 3 + + H. Ninety-one rovibrational transitions with partly resolved fine structure doublets were measured in high resolution. Supported by high-level quantum chemical calculations, spectroscopic parameters were determined by fitting the observed lines with an effective Hamiltonian for an asymmetric rotor in a doublet electronic ground state, X ˜ A 1 2 , yielding a band origin at 3113.6400(3) cm−1. Based on these spectroscopic parameters, the rotational spectrum of this astronomically important molecule is predicted.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2020-08-01 | Journal of Molecular Structure |