Pattern recognition as a new strategy in high-resolution spectroscopy: application to methanol OH-stretch overtones

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388955%3A_____%2F21%3A00545404" target="_blank" >RIV/61388955:_____/21:00545404 - isvavai.cz</a>

Nalezeny alternativní kódy

RIV/68378271:_____/21:00547781

Výsledek na webu

<a href="http://hdl.handle.net/11104/0322101" target="_blank" >http://hdl.handle.net/11104/0322101</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1039/d1cp02639a" target="_blank" >10.1039/d1cp02639a</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Pattern recognition as a new strategy in high-resolution spectroscopy: application to methanol OH-stretch overtones

Popis výsledku v původním jazyce

We further develop a strategy for a line-by-line assignment of complex high-resolution overtone spectra. A search for specific line patterns in the spectrum allows to identify upper rotational states by extending the concept of ground state combination differences (GSCD). Simultaneous use of all GSCDs relating to a given upper state significantly reduces a probability of incorrect assignments. To test this approach, we have analysed a newly recorded spectrum of methanol in the first OH-stretch overtone region, 2νOH, between 7170 cm−1 and 7220 cm−1 at temperature of 19 K by combining a tunable-laser-diode absorption spectrometer with a slit-jet supersonic expansion. The spectrum consists of 1002 lines at this low temperature reflecting the fact that methanol is an asymmetric rotor with a hindered internal rotation. In total, 295 lines have been reliably assigned, representing 63% of the total intensity. Rotational energies and rotational quantum numbers for 52 upper states have been determined. Many of these states have the same quantum numbers, suggesting couplings to a manifold of 'dark' vibrational states in this overtone region.n

Název v anglickém jazyce

Pattern recognition as a new strategy in high-resolution spectroscopy: application to methanol OH-stretch overtones

Popis výsledku anglicky

We further develop a strategy for a line-by-line assignment of complex high-resolution overtone spectra. A search for specific line patterns in the spectrum allows to identify upper rotational states by extending the concept of ground state combination differences (GSCD). Simultaneous use of all GSCDs relating to a given upper state significantly reduces a probability of incorrect assignments. To test this approach, we have analysed a newly recorded spectrum of methanol in the first OH-stretch overtone region, 2νOH, between 7170 cm−1 and 7220 cm−1 at temperature of 19 K by combining a tunable-laser-diode absorption spectrometer with a slit-jet supersonic expansion. The spectrum consists of 1002 lines at this low temperature reflecting the fact that methanol is an asymmetric rotor with a hindered internal rotation. In total, 295 lines have been reliably assigned, representing 63% of the total intensity. Rotational energies and rotational quantum numbers for 52 upper states have been determined. Many of these states have the same quantum numbers, suggesting couplings to a manifold of 'dark' vibrational states in this overtone region.n

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

2021

Kód důvěrnosti údajů

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

Název periodika

Physical Chemistry Chemical Physics

ISSN

1463-9076

e-ISSN

1463-9084

Svazek periodika

23

Číslo periodika v rámci svazku

36

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

8

Strana od-do

20193-20200

Kód UT WoS článku

000693156900001

EID výsledku v databázi Scopus

2-s2.0-85115858653