FT-spectroscopy of the 12C18O rare isotopologue and deperturbation analysis of the A1Π(v = 3) level

0584309 - ÚFCH JH 2025 RIV GB eng J - Journal Article
Malicka, M. I. - Field, R. W. - Ryzner, S. - Stasik, A. - Ubachs, W. - Heays, Alan - de Oliveira, N. - Szajna, W. - Hakalla, R.
FT-spectroscopy of the 12C18O rare isotopologue and deperturbation analysis of the A1Π(v = 3) level.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 312, MAY 2024 (2024), č. článku 124011. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA MŠMT EF16_019/0000778
Grant - others:ERDF(CZ) CZ.02.1.01/0.0/0.0/16_019/0000778
Institutional support: RVO:61388955
Keywords : 12C18O isotopologue * Carbon monoxide * Deperturbation analysis
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Limited access

Research on 12C18O was carried out using two complementary Fourier-transform methods: (1) vacuum-ultraviolet absorption spectroscopy, with an accuracy ca. 0.03cm-1 on the DESIRS beamline (SOLEIL synchrotron) and (2) visible emission spectroscopy with an accuracy of about 0.005-0.007cm-1 by means of the Bruker IFS 125HR spectrometer (University of Rzeszow). The maximum rotational quantum number of the energy levels involved in the observed spectral lines was Jmax=54. An effective Hamiltonian and the term-value fitting approach were implemented for the precise analysis of the A1Pi(v=3) level in 12C18O. It was performed by means of the PGOPHER code. The data set consisted of 571 spectral lines belonging to the A1Pi-X1Sigma+(3, 0), B1Sigma+-A1Pi(0, 3), C1Sigma+-A1Pi(0, 3) bands and several lines involving states that perturb the A1Pi(v=3) level as well as to the previously analysed B1Sigma+-X1Sigma+(0, 0) and C1Sigma+-X1Sigma+(0, 0) transitions. A significantly extended quantum-mechanical description of the A1Pi(v=3) level in 12C18O was provided. It consists of the 5 new unimolecular interactions of the spin-orbit and rotation-electronic nature, which had not been taken into account previously in the literature. The ro-vibronic term values of the A1Pi(v=3, Jmax=55), a'3Sigma+(v=13), D1Delta(v=4) and I1Sigma-(v=5) levels were determined with precision improved by a factor of 10 relative to the previously known values.
Permanent Link: https://hdl.handle.net/11104/0352242