Abstract
A method is presented which allows one to derive partial pressures of isotopologue molecules in a gaseous mixture under the conditions of rapid isotope exchange. For this purpose, isotopic relations between effective dipole moment parameters of a "parent" molecule and its related isotopically substituted species are derived on the basis of the general isotopic substitution theory. The efficiency of the method is illustrated. The result was derived for the fundamental bands and is valid for any asymmetric top molecule. The discussed general consideration offers the possibility to obtain analogous results both for any overtone as well as combinational bands of any asymmetric top molecule, and (with minor corrections) for any symmetric and/or spherical top molecule. The validity and efficiency of the general results are confirmed by comparison of the general results obtained in the present paper with the experimental results for the H 2 O/HDO molecules with a deviation of 3 to 4%.
| Original language | English |
|---|---|
| Pages (from-to) | 8464-8469 |
| Number of pages | 6 |
| Journal | Physical Chemistry Chemical Physics |
| Volume | 21 |
| Issue number | 16 |
| DOIs | |
| Publication status | Published - 1 Jan 2019 |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
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On the method of precise abundance determination of isotopologues in a gas mixture. / Ulenikov, Oleg N.; Bekhtereva, Elena S.; Gromova, Olga V.; Belova, Anastasia S.; Bauerecker, Sigurd.
In: Physical Chemistry Chemical Physics, Vol. 21, No. 16, 01.01.2019, p. 8464-8469.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - On the method of precise abundance determination of isotopologues in a gas mixture
AU - Ulenikov, Oleg N.
AU - Bekhtereva, Elena S.
AU - Gromova, Olga V.
AU - Belova, Anastasia S.
AU - Bauerecker, Sigurd
PY - 2019/1/1
Y1 - 2019/1/1
N2 - A method is presented which allows one to derive partial pressures of isotopologue molecules in a gaseous mixture under the conditions of rapid isotope exchange. For this purpose, isotopic relations between effective dipole moment parameters of a "parent" molecule and its related isotopically substituted species are derived on the basis of the general isotopic substitution theory. The efficiency of the method is illustrated. The result was derived for the fundamental bands and is valid for any asymmetric top molecule. The discussed general consideration offers the possibility to obtain analogous results both for any overtone as well as combinational bands of any asymmetric top molecule, and (with minor corrections) for any symmetric and/or spherical top molecule. The validity and efficiency of the general results are confirmed by comparison of the general results obtained in the present paper with the experimental results for the H 2 O/HDO molecules with a deviation of 3 to 4%.
AB - A method is presented which allows one to derive partial pressures of isotopologue molecules in a gaseous mixture under the conditions of rapid isotope exchange. For this purpose, isotopic relations between effective dipole moment parameters of a "parent" molecule and its related isotopically substituted species are derived on the basis of the general isotopic substitution theory. The efficiency of the method is illustrated. The result was derived for the fundamental bands and is valid for any asymmetric top molecule. The discussed general consideration offers the possibility to obtain analogous results both for any overtone as well as combinational bands of any asymmetric top molecule, and (with minor corrections) for any symmetric and/or spherical top molecule. The validity and efficiency of the general results are confirmed by comparison of the general results obtained in the present paper with the experimental results for the H 2 O/HDO molecules with a deviation of 3 to 4%.
UR - http://www.scopus.com/inward/record.url?scp=85064011254&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=85064011254&partnerID=8YFLogxK
U2 - 10.1039/c9cp00750d
DO - 10.1039/c9cp00750d
M3 - Article
C2 - 30951066
AN - SCOPUS:85064011254
VL - 21
SP - 8464
EP - 8469
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
SN - 1463-9076
IS - 16
ER -