钨（VI）氯化物：WCl6和WOCl4的振动光谱。

IF 3.1 4区化学 Q2 CHEMISTRY, MULTIDISCIPLINARY

ChemistryOpen Pub Date : 2025-09-26 DOI:10.1002/open.202500338

Stewart F Parker, Talha Nasir

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引用次数: 0

摘要

六氯化钨（VI） WCl6和氧化四氯化钨（VI） WOCl4在各种技术应用中都很有意义。在目前的工作中，在“自由”状态（即，在气相或溶液中）和在固体状态下的分子都提供了完整的振动分配。记录了两种分子在固体状态下的第一次非弹性中子散射谱。作业由密度泛函理论计算支持。在所有情况下，W-Cl的拉伸模式出现在300-400 cm-1范围内，Cl-W-Cl的弯曲模式出现在100-250 cm-1范围内。

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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Vibrational Spectroscopy of Tungsten(VI) Chlorides: WCl₆ and WOCl₄.

Tungsten (VI) hexachloride, WCl₆, and tungsten (VI) oxytetrachloride, WOCl₄, are of interest in a variety of technological applications. In the present work, complete vibrational assignments are provided for both molecules in the "free" state (i.e., in the gas phase or in solution) and in the solid state. The first inelastic neutron scattering spectra of both molecules in the solid state are recorded. The assignments are supported by density functional theory calculations. In all cases, the W-Cl stretching modes occur in the 300-400 cm^-1 range, and the Cl-W-Cl bending modes in the 100-250 cm^-1 range.

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来源期刊

ChemistryOpen CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

4.80

自引率

4.30%

发文量

143

审稿时长

1 months

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