High-resolution spectra of 2ν(OH) overtone of trans-formic acid in the supersonic jet

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F22%3A00562535" target="_blank" >RIV/61388955:_____/22:00562535 - isvavai.cz</a>

Výsledek na webu

<a href="https://hdl.handle.net/11104/0334847" target="_blank" >https://hdl.handle.net/11104/0334847</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jqsrt.2022.108319" target="_blank" >10.1016/j.jqsrt.2022.108319</a>

Jazyk výsledku

angličtina

Název v původním jazyce

High-resolution spectra of 2ν(OH) overtone of trans-formic acid in the supersonic jet

Popis výsledku v původním jazyce

First high-resolution low-temperature spectrum of the 2ν(OH) overtone of trans-formic acid have been measured using direct-absorption laser spectroscopy. The supersonic cooling in the jet expansion to 37 K has dramatically simplified the complex ro-vibrational structure of the band due to the thermal depopulation of higher-lying rotational states. Altogether, 597 lines have been measured with a line-position accuracy better than 0.001 cm1, and 441 of them have been reliably assigned using a custom-build program for a line-by-line assignment using the ground state combination differences. In total, 39 low-lying upper rota-tional states of the overtone vibration have been calculated from these line assignments. Moreover, some additional states have been also identified and tentatively assigned to a bath of dark states present in this spectral region. A global fit using A-reduced Watson's type Hamiltonian in Ir representation has been per-formed to obtain several ro-vibrational constants for the 2 nu(OH) vibration. In addition, the fit demonstrates the effect of numerous perturbations in the rotational structure.(c) 2022 Elsevier Ltd. All rights reserved.

Název v anglickém jazyce

High-resolution spectra of 2ν(OH) overtone of trans-formic acid in the supersonic jet

Popis výsledku anglicky

First high-resolution low-temperature spectrum of the 2ν(OH) overtone of trans-formic acid have been measured using direct-absorption laser spectroscopy. The supersonic cooling in the jet expansion to 37 K has dramatically simplified the complex ro-vibrational structure of the band due to the thermal depopulation of higher-lying rotational states. Altogether, 597 lines have been measured with a line-position accuracy better than 0.001 cm1, and 441 of them have been reliably assigned using a custom-build program for a line-by-line assignment using the ground state combination differences. In total, 39 low-lying upper rota-tional states of the overtone vibration have been calculated from these line assignments. Moreover, some additional states have been also identified and tentatively assigned to a bath of dark states present in this spectral region. A global fit using A-reduced Watson's type Hamiltonian in Ir representation has been per-formed to obtain several ro-vibrational constants for the 2 nu(OH) vibration. In addition, the fit demonstrates the effect of numerous perturbations in the rotational structure.(c) 2022 Elsevier Ltd. All rights reserved.

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10403 - Physical chemistry

Projekt

<a href="/cs/project/GA19-14105S" target="_blank" >GA19-14105S: Reakce atmosferických radikálů na klastrech</a><br>

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

Journal of Quantitative Spectroscopy and Radiative Transfer

ISSN

0022-4073

e-ISSN

1879-1352

Svazek periodika

292

Číslo periodika v rámci svazku

DEC 2022

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

108319

Kód UT WoS článku

000862275300002

EID výsledku v databázi Scopus

2-s2.0-85137170773