含铀多原子化合物的纯旋转光谱测量：二氧化硫

IF 2.8 3区化学 Q3 CHEMISTRY, PHYSICAL

Chemical Physics Letters Pub Date : 2024-11-12 DOI:10.1016/j.cplett.2024.141726

Joshua E. Isert , G.S. Grubbs II , S.A. Cooke

引用次数: 0

摘要

根据二氧化硫的两种同素异形体（S-32 和 S-34）的旋转光谱确定了基态旋转常数。对于 32SUO2，确定了 A0= 5150.34(17) MHz、B0= 2950.302(12) MHz 和 C0= 1872.933(13) MHz。SUO2 分子是在工作频率为 8 GHz 至 18 GHz 的啁啾脉冲傅立叶变换微波光谱仪内使用激光烧蚀喷嘴产生的。所获得的硫的旋转常数和 Kraitchman 置换坐标与量子化学计算所获得的结果非常吻合。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

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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 SUO

_{2}

. For ³²SUO

_{2}

it was determined that

A_{0} =

5150.34(17) MHz,

B_{0} =

2950.302(12) MHz, and

C_{0} =

1872.933(13) MHz. The SUO

_{2}

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.

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来源期刊

Chemical Physics Letters 化学-物理：原子、分子和化学物理

CiteScore

5.70

自引率

3.60%

发文量

798

审稿时长

33 days

期刊介绍： Chemical Physics Letters has an open access mirror journal, Chemical Physics Letters: X, sharing the same aims and scope, editorial team, submission system and rigorous peer review. Chemical Physics Letters publishes brief reports on molecules, interfaces, condensed phases, nanomaterials and nanostructures, polymers, biomolecular systems, and energy conversion and storage. Criteria for publication are quality, urgency and impact. Further, experimental results reported in the journal have direct relevance for theory, and theoretical developments or non-routine computations relate directly to experiment. Manuscripts must satisfy these criteria and should not be minor extensions of previous work.