| Autor: |
Ulenikov ON; Research School of High-Energy Physics, National Research Tomsk Polytechnic University, Tomsk 634050, Russia. bextereva@tpu.ru., Bekhtereva ES, Gromova OV, Belova AS, Bauerecker S |
| Jazyk: |
angličtina |
| Zdroj: |
Physical chemistry chemical physics : PCCP [Phys Chem Chem Phys] 2019 Apr 17; Vol. 21 (16), pp. 8464-8469. |
| DOI: |
10.1039/c9cp00750d |
| Abstrakt: |
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 H2O/HDO molecules with a deviation of 3 to 4%. |
| Databáze: |
MEDLINE |
| Externí odkaz: |
|
