Pure rotational spectroscopic measurements on a uranium-containing polyatomic compound: SUO2

Ground-state rotational constants were determined from the rotational spectra of two isotopologues (S-32 and S-34) of SUO2. For 32SUO2 it was determined that A0= 5150.34(17) MHz, B0= 2950.302(12) MHz, and C0= 1872.933(13) MHz. The SUO2 molecules were produced using a laser ablation nozzle inside of...

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Bibliographic Details
Published in:Chemical physics letters 2025-01, Vol.858 (C), p.141726, Article 141726
Main Authors: Isert, Joshua E., Grubbs, G.S., Cooke, S.A.
Format: Article
Language:English
Subjects:
Rotational spectroscopy
SUO2
Uranium spectroscopy
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Summary:Ground-state rotational constants were determined from the rotational spectra of two isotopologues (S-32 and S-34) of SUO2. For 32SUO2 it was determined that A0= 5150.34(17) MHz, B0= 2950.302(12) MHz, and C0= 1872.933(13) MHz. The SUO2 molecules were produced using a laser ablation nozzle inside of a chirped pulse Fourier transform microwave spectrometer operating between 8 GHz and 18 GHz. The obtained rotational constants and Kraitchman substitution coordinates for sulfur are in very good agreement with those obtained from quantum chemical calculations. [Display omitted] •First pure rotational spectroscopy on a polyatomic uranium-containing compound.•Determination of accurate rotational constants for SUO2.•Benchmarking of relativistic quantum chemical calculations.
ISSN:0009-2614
DOI:10.1016/j.cplett.2024.141726