Počet záznamů: 1
Pattern recognition as a new strategy in high-resolution spectroscopy: application to methanol OH-stretch overtones
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SYSNO ASEP 0545404 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Pattern recognition as a new strategy in high-resolution spectroscopy: application to methanol OH-stretch overtones Tvůrce(i) Rakovský, Jozef (UFCH-W) RID, ORCID
Svoboda, Vít (UFCH-W) ORCID
Horká-Zelenková, Veronika (UFCH-W) RID
Votava, Ondřej (UFCH-W) RID, ORCIDZdroj.dok. Physical Chemistry Chemical Physics. - : Royal Society of Chemistry - ISSN 1463-9076
Roč. 23, č. 36 (2021), s. 20193-20200Poč.str. 8 s. Jazyk dok. eng - angličtina Země vyd. GB - Velká Británie Klíč. slova high-resolution spectroscopy ; ground state combination differences ; polyatomic molecules Vědní obor RIV CF - Fyzikální chemie a teoretická chemie Obor OECD Physical chemistry CEP GA19-14105S GA ČR - Grantová agentura ČR Způsob publikování Omezený přístup Institucionální podpora UFCH-W - RVO:61388955 UT WOS 000693156900001 EID SCOPUS 85115858653 DOI 10.1039/d1cp02639a Anotace 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.
Pracoviště Ústav fyzikální chemie J.Heyrovského Kontakt Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Rok sběru 2022 Elektronická adresa http://hdl.handle.net/11104/0322101
Počet záznamů: 1