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A matrix isolation and computational study of molecular palladium fluorides : does PdF₆ exist?

Wilson, Antony V.; Nguyen, Timothy; Brosi, Felix; Wang, Xuefeng; Andrews, Lester; Riedel, Sebastian; Bridgeman, Adam J.; Young, Nigel A.

Authors

Antony V. Wilson

Timothy Nguyen

Felix Brosi

Xuefeng Wang

Lester Andrews

Sebastian Riedel

Adam J. Bridgeman

Dr Nigel Young N.A.Young@hull.ac.uk
Senior Lecturer/ Director of Studies/ Deputy Head of Chemistry and Biochemistry/ Industrial Placements Coordinator



Abstract

Palladium atoms generated by thermal evaporation and laser ablation were reacted with and trapped in F₂ /Ar, F₂ /Ne, and neat F₂ matrices. The products were characterized by electronic absorption and infrared spectroscopy, together with relativistic density functional theory calculations as well as coupled cluster calculations. Vibrational modes at 540 and 617 cm⁻¹ in argon matrices were assigned to molecular PdF and PdF₂ , and a band at 692 cm⁻¹ was assigned to molecular PdF₄ . A band at 624 cm⁻¹ can be assigned to either PdF₃ or PdF₆, with the former preferred from experimental considerations. Although calculations might support the latter assignment, our conclusion is that in these detailed experiments there is no convincing evidence for PdF₆.

Citation

Wilson, A. V., Nguyen, T., Brosi, F., Wang, X., Andrews, L., Riedel, S., …Young, N. A. (2016). A matrix isolation and computational study of molecular palladium fluorides : does PdF₆ exist?. Inorganic chemistry, 55(3), (1108-1123). doi:10.1021/acs.inorgchem.5b02273. ISSN 0020-1669

Journal Article Type Article
Acceptance Date Dec 16, 2015
Online Publication Date Jan 8, 2016
Publication Date Feb 1, 2016
Deposit Date Mar 2, 2016
Publicly Available Date Mar 2, 2016
Journal Inorganic chemistry
Print ISSN 0020-1669
Electronic ISSN 1520-510X
Publisher American Chemical Society
Peer Reviewed Peer Reviewed
Volume 55
Issue 3
Pages 1108-1123
DOI https://doi.org/10.1021/acs.inorgchem.5b02273
Keywords Matrix isolation, PdF₆, Palladium atoms
Public URL https://hull-repository.worktribe.com/output/412018
Publisher URL http://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.5b02273
Copyright Statement ©2016 University of Hull
Additional Information This document is the Accepted Manuscript version of a Published Work that appeared in final form in Inorganic chemistry, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see 10.1021/acs.inorgchem.5b02273

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