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IF 2.9 3区化学 Q3 CHEMISTRY, PHYSICAL

Physical Chemistry Chemical Physics Pub Date : 2024-12-21 DOI:10.1039/d4cp04382k

Joshua E. Isert, Alexander Davies, Smitty Grubbs II, Stephen Cooke

引用次数: 0

摘要

我们首次测定了 OThS 和 OCeS 的旋转常数和离心变形常数。这些分子的旋转光谱，以及每种情况下的另一种同素异形体（OTh34S 和 O142CeS）的旋转光谱，都是利用激光烧蚀源技术产生的，该技术被集成到工作在电磁波谱 8 至 18 GHz 区域的啁啾脉冲傅立叶变换微波光谱仪中。确定的弯曲结构与理论计算结果非常吻合。讨论了原子坐标、键长和键角以及惯性缺陷之间的比较。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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Laser Ablation Syntheses of OThS and OCeS and their Characterization by Rotational Spectroscopy

For the first time, rotational constants along with centrifugal distortion constants have been determined for OThS and OCeS. The rotational spectra of these molecules and, in each case, one other isotopologue (OTh34S and O142CeS) were produced utilizing a laser ablation sourcing technique incorporated into a chirped-pulse Fourier transform microwave spectrometer operating in the 8 to 18 GHz region of the electromagnetic spectrum. The bent structures determined are in very good agreement with theoretical calculations. Comparisons between atomic coordinates, bond lengths and angles, as well as the inertial defect are discussed.

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来源期刊

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

CiteScore

5.50

自引率

9.10%

发文量

2675

审稿时长

2.0 months

期刊介绍： 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.