Deducing rotational quantum-state distributions from
overlapping molecular spectra

J 2019

Deducing rotational quantum-state distributions from overlapping molecular spectra

VORÁČ, Jan; Lukáš KUSÝN and Petr SYNEK

Basic information

Original name

Deducing rotational quantum-state distributions from overlapping molecular spectra

Authors

VORÁČ, Jan (203 Czech Republic, guarantor, belonging to the institution); Lukáš KUSÝN (203 Czech Republic, belonging to the institution) and Petr SYNEK (203 Czech Republic, belonging to the institution)

Edition

REVIEW OF SCIENTIFIC INSTRUMENTS, AMER INST PHYSICS, 2019, 0034-6748

Other information

Language

English

Type of outcome

Article in a journal

Field of Study

10305 Fluids and plasma physics

Country of publisher

United States of America

Confidentiality degree

is not subject to a state or trade secret

References:

URL

Impact factor

Impact factor: 1.480

RIV identification code

RIV/00216224:14310/19:00108103

Organization unit

Faculty of Science

DOI

https://doi.org/10.1063/1.5128455

UT WoS

000504106500006

EID Scopus

2-s2.0-85075910227

Keywords in English

DIELECTRIC BARRIER DISCHARGE; ATOMIC-ABSORPTION-SPECTROMETRY; TRANSITION-PROBABILITIES; TEMPERATURE; RATIO; AIR; 1ST

Abstract

In the original language

A novel method for fast and robust calculation of Boltzmann plots from molecular spectra is presented. Its use is demonstrated on the OH(A-X) spectrum near 310 nm. A limitation of the method is identified: for overlapping spectra of the OH(A-X) and N-2(C-B, Delta v = 1) band sequence, the calculation may often fail due to insufficient number of measured points. This is solved by introducing experimentally determined bounds for the N-2(C) rotational distribution. Three cases are presented: (i) with undisturbed OH(A-X) emission, (ii) with strong emission of N-2(C-B) in the said spectral range, and (iii) with weak but not negligible nitrogen emission. In case (ii), the data in the spectral range 306-320 nm are sufficient for the analysis. In case (iii), information from another spectral range with undisturbed N-2(C-B) emission is necessary. These illustrate all relevant cases often encountered in laboratory plasmas. The calculated Boltzmann plots are not further analyzed in this article but can be used for development and validation of kinetic models with rotational resolution. The implementation of the reported method using the massiveOES software package written in the Python language is available in the https://doi.org/10.1063/1.5128455#suppl supplementary material.

Links

GA17-04329S, research and development project

Name: Atomizátory hydridů pro atomovou absorpční a atomovou fluorescenční spektrometrii - nové horizonty

Investor: Czech Science Foundation

LO1411, research and development project

Name: Rozvoj centra pro nízkonákladové plazmové a nanotechnologické povrchové úpravy (Acronym: CEPLANT plus)

Investor: Ministry of Education, Youth and Sports of the CR

Cite

VORÁČ, Jan; Lukáš KUSÝN and Petr SYNEK. Deducing rotational quantum-state distributions from overlapping molecular spectra. REVIEW OF SCIENTIFIC INSTRUMENTS. AMER INST PHYSICS, 2019, vol. 90, No 12, p. 1-10. ISSN 0034-6748. Available from: https://doi.org/10.1063/1.5128455.

@article{1608219,
   author = {Voráč, Jan and Kusýn, Lukáš and Synek, Petr},
   article_number = {12},
   doi = {https://doi.org/10.1063/1.5128455},
   keywords = {DIELECTRIC BARRIER DISCHARGE; ATOMIC-ABSORPTION-SPECTROMETRY; TRANSITION-PROBABILITIES; TEMPERATURE; RATIO; AIR; 1ST},
   language = {eng},
   issn = {0034-6748},
   journal = {REVIEW OF SCIENTIFIC INSTRUMENTS},
   title = {Deducing rotational quantum-state distributions from overlapping molecular spectra},
   url = {https://doi.org/10.1063/1.5128455},
   volume = {90},
   year = {2019}
}

TY  - JOUR
ID  - 1608219
AU  - Voráč, Jan - Kusýn, Lukáš - Synek, Petr
PY  - 2019
TI  - Deducing rotational quantum-state distributions from overlapping molecular spectra
JF  - REVIEW OF SCIENTIFIC INSTRUMENTS
VL  - 90
IS  - 12
SP  - 1-10
EP  - 1-10
PB  - AMER INST PHYSICS
SN  - 00346748
KW  - DIELECTRIC BARRIER DISCHARGE
KW  - ATOMIC-ABSORPTION-SPECTROMETRY
KW  - TRANSITION-PROBABILITIES
KW  - TEMPERATURE
KW  - RATIO
KW  - AIR
KW  - 1ST
UR  - https://doi.org/10.1063/1.5128455
L2  - https://doi.org/10.1063/1.5128455
N2  - A novel method for fast and robust calculation of Boltzmann plots from molecular spectra is presented. Its use is demonstrated on the OH(A-X) spectrum near 310 nm. A limitation of the method is identified: for overlapping spectra of the OH(A-X) and N-2(C-B, Delta v = 1) band sequence, the calculation may often fail due to insufficient number of measured points. This is solved by introducing experimentally determined bounds for the N-2(C) rotational distribution. Three cases are presented: (i) with undisturbed OH(A-X) emission, (ii) with strong emission of N-2(C-B) in the said spectral range, and (iii) with weak but not negligible nitrogen emission. In case (ii), the data in the spectral range 306-320 nm are sufficient for the analysis. In case (iii), information from another spectral range with undisturbed N-2(C-B) emission is necessary. These illustrate all relevant cases often encountered in laboratory plasmas. The calculated Boltzmann plots are not further analyzed in this article but can be used for development and validation of kinetic models with rotational resolution. The implementation of the reported method using the massiveOES software package written in the Python language is available in the https://doi.org/10.1063/1.5128455#suppl supplementary material.
ER  -

VORÁČ, Jan; Lukáš KUSÝN and Petr SYNEK. Deducing rotational quantum-state distributions from overlapping molecular spectra. \textit{REVIEW OF SCIENTIFIC INSTRUMENTS}. AMER INST PHYSICS, 2019, vol.~90, No~12, p.~1-10. ISSN~0034-6748. Available from: https://doi.org/10.1063/1.5128455.

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