Work

Vibrational Spectroscopy of Tungsten(VI) Chlorides: WCl 6 and WOCl 4

Year: 2025

Type: article

Abstract: Tungsten (VI) hexachloride, WCl 6 , and tungsten (VI) oxytetrachloride, WOCl 4 , 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.

Source: ChemistryOpen

DOI: 10.1002/open.202500338

Authors: Stewart F. Parker, Talha Nasir

Institutions: Rutherford Appleton Laboratory, ISIS Neutron and Muon Source

Language: English

Topic: Spectroscopy and Quantum Chemical Studies

Subfield: Atomic and Molecular Physics, and Optics

Field: Physics and Astronomy

Domain: Physical Sciences

Open Access status: gold

Estimated APC paid: $2,790

Funder: Science and Technology Facilities Council