2022
DOI: 10.1002/slct.202202601
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Spectra of CO2‐Kr in the 4.3 μm region: Intermolecular Bend and Symmetry Breaking of the Intramolecular CO2 Bend

Abstract: The infrared spectrum of CO 2 -Kr complex is studied in the region of the carbon dioxide ν 3 fundamental vibration ( � 2350 cm À 1 ). Tunable IR radiation from an OPO is employed to record absorption spectrum of the complex generated in a pulsed supersonic slit jet. The spectrum exhibits broadening and splitting of transitions due to mass dependence of the five Kr isotopes with natural abundances exceeding 2 %. Good simulation of the spectrum is achieved by scaling the vibrational and rotational parameters. Th… Show more

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Cited by 3 publications
(4 citation statements)
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“…At the VCI level, the difference between the bend and stretch frequencies is 2.77 cm –1 . This matches with the differences observed experimentally of 2.80 and >2.5 cm –1 , , however, our computed results are shifted lower in energy by about 2 cm –1 compared to the experiment. Chen et al report the two fundamental intermolecular frequencies at 30.027 and 32.233 cm –1 for the bend and stretch, respectively .…”
Section: Resultssupporting
confidence: 92%
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“…At the VCI level, the difference between the bend and stretch frequencies is 2.77 cm –1 . This matches with the differences observed experimentally of 2.80 and >2.5 cm –1 , , however, our computed results are shifted lower in energy by about 2 cm –1 compared to the experiment. Chen et al report the two fundamental intermolecular frequencies at 30.027 and 32.233 cm –1 for the bend and stretch, respectively .…”
Section: Resultssupporting
confidence: 92%
“…For the neon complex, these frequencies have been observed at 17.9 and 38.6 cm –1 , respectively . For krypton, the van der Waals bend and stretch energy levels were reported at 29.4 and 34.4 cm –1 , respectively. Similarly, recent theoretical studies align with these experimental findings . Importantly, the intramolecular frequency shifts within these complexes have been a focus of exploration.…”
Section: Introductionmentioning
confidence: 67%
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