Carbon monoxide

0559774 - ÚFCH JH 2023 RIV NL eng J - Journal Article
Ryzner, S. - Malicka, M. I. - Heays, Alan - Field, R. W. - de Oliveira, N. - Szajna, W. - Ubachs, W. - Hakalla, R.
Carbon monoxide.
Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy. Roč. 279, OCT 2022 (2022), č. článku 121367. ISSN 1386-1425. E-ISSN 1873-3557
R&D Projects: GA ČR GA19-03314S; GA MŠMT EF16_019/0000778
Institutional support: RVO:61388955
Keywords : High-resolution spectra * VIS-FT emission spectroscopy * Carbon monoxide * Deperturbation analysis * (CO)-C-13-O-18 A(1)P(v=1) multiply-perturbed level
OECD category: Physical chemistry
Impact factor: 4.4, year: 2022
Method of publishing: Open access

Ro-vibronic spectra of the 13C18O carbon monoxide isotopologue were obtained with (i) emission spectroscopy in the visible region using a Bruker IFS 125HR spectrometer (University of Rzeszow) and (ii) vacuum-ultraviolet absorption spectroscopy using the wave-front-division spectrometer on the DESIRS beamline of the SOLEIL synchrotron. A deperturbation analysis of the 13C18O A1P(v = 1) level was conducted from 598 observed transitions from the B1R' A1P(0, 1), C1R' A1P(0, 1), A1P X1R'(1, 0), B1R' X1R'(0, 0), C1R' X1R'(0, 0), I1R-- X1R'(2, 0) bands and five further nominally forbidden bands. An effective Hamiltonian and term-value fitting analysis was implemented. Consequently, 135 parameters were floated: 23 molecular parameters, including molecular constants for A1P(v = 1), I1R-(v = 2), d3D (v = 6), e3R-(v = 3) and D1D(v = 1), rotation-electronic (L-uncoupling) mixing of A1P(v = 1) ti [D1D (v = 1), I1R-(v = 1), I1R-(v = 2)] and spin-orbit interaction parameters for A1P(v = 1) ti [d3D(v = 6), e3R-(v = 3), aMODIFIER LETTER PRIME3R'(v = 11)]. The spin-orbit/spin-electronic/L-uncoupling a3P(v = 12) ti d3D(v = 5) and spin-orbit a3P(v = 12) ti [D1D(v = 1), I1R-(v = 2)] perturbation parameters, as well as 112 ro-vibronic term values of B1R'(v = 0) up to J = 50 and C1R'(v = 0) up to J = 60. The significant, indirect a3P(v = 1 2) ti [e3R-(v = 2, 3), d3D(v = 5, 6)] ti A1P(v = 1) spin-orbit/spin-electronic/L-uncoupling interaction and a3P(v = 12) ti [I1R-(v = 2), D1D(v = 1)] ti A1P(v = 1) spin-orbit/L-uncoupling interaction were detected and analysed. Thus, this study, using modern experimental methods and deperturbation analysis, leads to a much improved description in terms of molecular constants and interaction parameters, compared to previous studies of the A1P(v = 1) energy region in the 13C18O isotopologue. This research is
Permanent Link: https://hdl.handle.net/11104/0332977