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• W4280494044 endingPage "121379" @default.
• W4280494044 startingPage "121379" @default.
• W4280494044 abstract "The high resolution spectrum of the ν1+ν3 band of the 35ClO2 free radical was recorded with a Bruker IFS 125HR Fourier transform infrared spectrometer and theoretically analysed with an improved theoretical basis including the reduced effective spin-rotation Hamiltonian (which takes into account sixth order operators describing spin-rotational interactions) and a newly created computer code ROVDES for the ro-vibrational spectra of open-shell free radicals. About 2600 spin-ro-vibrational transitions with the values Nmax=59 and Kamax=17 (being about 2.4 times higher in comparison with the number of assigned transitions known in the literature) were assigned to the ν1+ν3 band of 35ClO2 and 1049 spin-ro-vibrational energies (produced only from unblended non-saturated and not very weak experimental lines) of the (101) upper vibrational state were obtained. A set of 30 varied parameters of the effective spin-rotation-vibration Hamiltonian of the (101) vibrational state (vibrational energy, 17 rotational and centrifugal distortion parameters and 12 are spin-rotational ones) was determined from the weighted fit of parameters of the effective spin-rotational Hamiltonian in A-reduction and Ir-representation. The obtained set of parameters reproduces the initial 1049 experimental upper state energies with the drms=2.5×10-4 cm-1 which is close to the experimental uncertainty of the recorded spectra and is almost 70 times higher in comparison with the analogous reproduction of the same initial upper energies with the use of parameters from (J.Mol.Spectrosc.,158,347-356(1993))." @default.
• W4280494044 created "2022-05-22" @default.
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• W4280494044 date "2022-10-01" @default.
• W4280494044 modified "2023-09-30" @default.
• W4280494044 title "High resolution spectroscopy of the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si159.svg><mml:mrow><mml:msub><mml:mrow><mml:mi>ν</mml:mi></mml:mrow><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msub><mml:mo linebreak=badbreak>+</mml:mo><mml:msub><mml:mrow><mml:mi>ν</mml:mi></mml:mrow><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:mrow></mml:math> band of the <mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML altimg=si160.svg><mml:mrow><mml:msup><mml:mrow…" @default.
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• W4280494044 doi "https://doi.org/10.1016/j.saa.2022.121379" @default.
• W4280494044 hasPubMedId "https://pubmed.ncbi.nlm.nih.gov/35605358" @default.
• W4280494044 hasPublicationYear "2022" @default.
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