Deperturbation analysis of the A1Π(v = 2) level in the 12C18O isotopologue

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00544956" target="_blank" >RIV/61388955:_____/21:00544956 - isvavai.cz</a>

Výsledek na webu

<a href="http://hdl.handle.net/11104/0321740" target="_blank" >http://hdl.handle.net/11104/0321740</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jqsrt.2021.107837" target="_blank" >10.1016/j.jqsrt.2021.107837</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Deperturbation analysis of the A1Π(v = 2) level in the 12C18O isotopologue

Popis výsledku v původním jazyce

The rotational structure of the A1Π(v = 2) level of 12C18O is re-examined using high-accuracy experimental data comprised of 541 molecular lines obtained by two complementary Fourier-transform techniques. The absorption spectrum of the A1Π – X1Σ+(2, 0) band, in the range 66,500 - 67,650 cm–1, was recorded by the vacuum-ultraviolet FT spectrometer at the DESIRS beamline of the SOLEIL synchrotron. Visible emission spectra of the B1Σ+ – A1Π(0, 2) and C1Σ+ – A1Π(0, 2) bands in the range 19,200 - 20,000 and 24,300 - 24,800 cm–1 were obtained with a Bruker IFS-125HR spectrometer at the University of Rzeszów. The absolute accuracy of line frequencies are 0.01 and 0.005 - 0.01 cm−1, respectively. Results from the B1Σ+ – X1Σ+(0, 0) and C1Σ+ – X1Σ+(0, 0) absorption bands of 12C18O were added to the experimental data set. A deperturbation analysis of A1Π(v = 2) is performed with an effective Hamiltonian and a term-value fitting approach. Accurate molecular constants for A1Π(v = 2) and the e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12) and I1Σ–(v = 3) perturbing levels were determined. Perturbation parameters of the spin-orbit A1Π(v = 2) ~ [e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12)] and rotation-electronic (L-uncoupling) A1Π(v = 2) ~ [I1Σ–(v = 3, 4), D1Δ(v = 3)] interactions, were obtained. A significant, indirect influence of the a3Π state on the A1Π state was detected in 12C18O and has therefore been included in the final fit by taking into account the simultaneous a3Π(v = 13) ~ [e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12)] ~ A1Π(v = 2) spin-orbit/spin-electronic/L-uncoupling and spin-orbit interactions as well as the a3Π(v = 13) ~ [D1Δ(v = 3), I1Σ–(v = 3)] ~ A1Π(v = 2) spin-orbit and L-uncoupling interactions. This work results in determination of 110 rotational term-values for the A1Π(v = 2) state and its perturbers.

Název v anglickém jazyce

Deperturbation analysis of the A1Π(v = 2) level in the 12C18O isotopologue

Popis výsledku anglicky

The rotational structure of the A1Π(v = 2) level of 12C18O is re-examined using high-accuracy experimental data comprised of 541 molecular lines obtained by two complementary Fourier-transform techniques. The absorption spectrum of the A1Π – X1Σ+(2, 0) band, in the range 66,500 - 67,650 cm–1, was recorded by the vacuum-ultraviolet FT spectrometer at the DESIRS beamline of the SOLEIL synchrotron. Visible emission spectra of the B1Σ+ – A1Π(0, 2) and C1Σ+ – A1Π(0, 2) bands in the range 19,200 - 20,000 and 24,300 - 24,800 cm–1 were obtained with a Bruker IFS-125HR spectrometer at the University of Rzeszów. The absolute accuracy of line frequencies are 0.01 and 0.005 - 0.01 cm−1, respectively. Results from the B1Σ+ – X1Σ+(0, 0) and C1Σ+ – X1Σ+(0, 0) absorption bands of 12C18O were added to the experimental data set. A deperturbation analysis of A1Π(v = 2) is performed with an effective Hamiltonian and a term-value fitting approach. Accurate molecular constants for A1Π(v = 2) and the e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12) and I1Σ–(v = 3) perturbing levels were determined. Perturbation parameters of the spin-orbit A1Π(v = 2) ~ [e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12)] and rotation-electronic (L-uncoupling) A1Π(v = 2) ~ [I1Σ–(v = 3, 4), D1Δ(v = 3)] interactions, were obtained. A significant, indirect influence of the a3Π state on the A1Π state was detected in 12C18O and has therefore been included in the final fit by taking into account the simultaneous a3Π(v = 13) ~ [e3Σ–(v = 4), d3Δ(v = 7), aʹ3Σ+(v = 12)] ~ A1Π(v = 2) spin-orbit/spin-electronic/L-uncoupling and spin-orbit interactions as well as the a3Π(v = 13) ~ [D1Δ(v = 3), I1Σ–(v = 3)] ~ A1Π(v = 2) spin-orbit and L-uncoupling interactions. This work results in determination of 110 rotational term-values for the A1Π(v = 2) state and its perturbers.

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

2021

Kód důvěrnosti údajů

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

Název periodika

Journal of Quantitative Spectroscopy and Radiative Transfer

ISSN

0022-4073

e-ISSN

1879-1352

Svazek periodika

273

Číslo periodika v rámci svazku

OCT 2021

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

16

Strana od-do

107837

Kód UT WoS článku

000686798100010

EID výsledku v databázi Scopus

2-s2.0-85111932057