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

文献信息

发布日期 2022-12-07
DOI 10.1039/D2CP04917A
影响因子 3.676
作者

M. Yu. Tretyakov, E. A. Serov, D. S. Makarov, I. N. Vilkov, G. Yu. Golubiatnikov, T. A. Galanina, M. A. Koshelev, A. A. Balashov, A. A. Simonova, F. Thibault


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摘要

The results of a rigorous study of the two first pure rotational transitions of CO perturbed by Ar are presented. The experimental part is based on the use of three different spectrometers covering together the pressure range from 0.02 up to 1500 torr. The measurement results of collisional line shape parameters are supported by fully ab initio calculations, which are in remarkable agreement with retrieved data. A sub-percent uncertainty of line intensity measurements is achieved and the first firm evidence that the resonance spectrum of CO is observed on the continual pedestal is given. We analyze the results of our ab initio calculations on the basis of early analytical theories and demonstrate a good general applicability of the latter to the CO–Ar collisional system.

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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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