On the method of precise abundance determination of isotopologues in a gas mixture

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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 languageEnglish
Pages (from-to)8464-8469
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume21
Issue number16
DOIs
Publication statusPublished - 1 Jan 2019

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Gas mixtures
gas mixtures
Molecules
molecules
Dipole moment
Isotopes
Partial pressure
partial pressure
dipole moments
Substitution reactions
isotopes
substitutes
deviation
harmonics

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

Cite this

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title = "On the method of precise abundance determination of isotopologues in a gas mixture",
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{\%}.",
author = "Ulenikov, {Oleg N.} and Bekhtereva, {Elena S.} and Gromova, {Olga V.} and Belova, {Anastasia S.} and Sigurd Bauerecker",
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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%.

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