Carbon monoxide

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00559774" target="_blank" >RIV/61388955:_____/22:00559774 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0332977" target="_blank" >https://hdl.handle.net/11104/0332977</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2022.121367" target="_blank" >10.1016/j.saa.2022.121367</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Carbon monoxide

Popis výsledku v původním jazyce

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

Název v anglickém jazyce

Carbon monoxide

Popis výsledku anglicky

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

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

Výsledek vznikl pri realizaci vícero projektů. Více informací v záložce Projekty.

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Spectrochimica Acta Part A-Molecular and Biomolecular Spectroscopy

ISSN

1386-1425

e-ISSN

1873-3557

Svazek periodika

279

Číslo periodika v rámci svazku

OCT 2022

Stát vydavatele periodika

NL - Nizozemsko

Počet stran výsledku

16

Strana od-do

121367

Kód UT WoS článku

000827519200008

EID výsledku v databázi Scopus

2-s2.0-85132387167