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

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F24%3A00584309" target="_blank" >RIV/61388955:_____/24:00584309 - isvavai.cz</a>

Výsledek na webu

<a href="https://www.sciencedirect.com/science/article/pii/S138614252400177X?via%3Dihub" target="_blank" >https://www.sciencedirect.com/science/article/pii/S138614252400177X?via%3Dihub</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.saa.2024.124011" target="_blank" >10.1016/j.saa.2024.124011</a>

Jazyk výsledku

angličtina

Název v původním jazyce

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

Popis výsledku v původním jazyce

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.

Název v anglickém jazyce

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

Popis výsledku anglicky

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.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/EF16_019%2F0000778" target="_blank" >EF16_019/0000778: Centrum pokročilých aplikovaných přírodních věd</a><br>

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2024

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

312

Číslo periodika v rámci svazku

MAY 2024

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

16

Strana od-do

124011

Kód UT WoS článku

001210219800001

EID výsledku v databázi Scopus

2-s2.0-85186556114