Effect of stable and metastable dimers on collision-induced rototranslational spectra: Carbon dioxide – rare gas mixtures

Oparin, D.V.; Filippov, N. N.; Grigoriev, I. M.; Kouzov, A. P.

doi:10.1016/j.jqsrt.2017.04.002

Cited by 18 publications

(15 citation statements)

References 34 publications

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“…where X is G, D or Y. Taking this into account, the general line shape profile (12) reduces to the qSDVVWLM profile. The qSDVVWLM profile can be reduced to the qSDVVW profile by letting Y 0,2 = 0 and to the VVWLM profile with…”

Section: Xðzþmentioning

confidence: 99%

“…The same has been proved for CO 2 -CO 2 and even CO 2 -Ar pairs. [11][12][13] However, the free pair component is dominating for the N 2 -N 2 continuum and the dimeric part is negligible. 14 The contribution of resonant line wings to the continuum remains one of the oldest unsolved problems in molecular spectroscopy.…”

Section: Introductionmentioning

confidence: 99%

“…However, in that work, experimental line parameters were not reported. In the present paper, we focus on the analysis of experimental recordings obtained for the R(0) line of the 12 C 16 O molecule presented in Paper I and report similar spectra for the R(1) rotational transition.…”

Section: Introductionmentioning

confidence: 99%

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Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Tretyakov

Serov

Makarov

et al. 2023

Phys. Chem. Chem. Phys.

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Section: Xðzþmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Tretyakov

Serov

Makarov

et al. 2023

Phys. Chem. Chem. Phys.

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“…Помимо обычных столкновений, имеющих лишь одно расстояние наибольшего сближения (минимум в зависимости межмолекулярного расстояния R(t)), в процессе взаимодействия могут возникать нестабильные квазисвязанные комплексы ( " quasibound complexes" -QC), иначе называемые резонансами Фешбаха или метастабиль-Оптика и спектроскопия, 2022, том 130, вып. 12 ными димерами [21,31,32]. Квазисвязанные комплексы могут образовываться при условии, что хотя бы один из сталкивающихся партнеров обладает внутренней степенью свободы (например, вращательной).…”

Section: ограничение влияния упругих столкновений в духе идеи вейскоп...unclassified

Уширение и сдвиг вращательных линий оксида углерода в широком диапазоне температур: расчеты в рамках классической ударной теории для CO-He

Иванов¹

2022

Оптика И Спектроскопия

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The classical impact theory of Gordon is used to calculate half-widths and shifts of spectral lines of the pure rotational band of 12C16O isotopologue broadened by He. Two rotational transitions are examined: J=0J=1 and J=1J=2 in the wide temperature range from 1.3 to 600 K. The main purpose of this work is the study of the validity limits of classical impact theory at low temperatures. Dynamical calculations were performed on the accurate CO-He ab initio potential energy surface. The results of calculations are in good agreement with experimental data with the exception of very low temperatures. The contributions of collisions of different types (elastic, inelastic, quasibound complexes) are clearly examined in the classical picture frame. It is shown that the mismatches between classical theory and measurements are caused by the too high contribution of elastic collisions into broadening and shift in the present variant of theoretical model. The idea in the spirit of the Weisskopf theory is applied to try to diminish this contribution. The classical results are also compared with the results of fully quantum close coupling calculations made with using four CO-He interaction potentials. The roots of discrepancies at low temperatures as well as the virtues and the shortcomings of a classical approach are discussed.

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“…El-Kader and coworkers pursued studies at a similar level of theory for H 2 -(Ar,He) [408,409], CF 4 -He mixtures [410], pure methane [411], pure N 2 [412], and pure O 2 [413]. A classical trajectory study of CIA in CO 2 -(Ar,Xe) mixtures can be found in [414].…”

Section: Standard Binary-collision Treatmentsmentioning

confidence: 99%

Recent advances in collisional effects on spectra of molecular gases and their practical consequences

Hartmann

Tran

Armante

et al. 2018

Journal of Quantitative Spectroscopy and Radiative Transfer

102

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Effect of stable and metastable dimers on collision-induced rototranslational spectra: Carbon dioxide – rare gas mixtures

Cited by 18 publications

References 34 publications

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Pure rotational R(0) and R(1) lines of CO in Ar baths: experimental broadening, shifting and mixing parameters in a wide pressure range versus ab initio calculations

Уширение и сдвиг вращательных линий оксида углерода в широком диапазоне температур: расчеты в рамках классической ударной теории для CO-He

Recent advances in collisional effects on spectra of molecular gases and their practical consequences

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