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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.


Antony V. Wilson

Timothy Nguyen

Felix Brosi

Xuefeng Wang

Lester Andrews

Sebastian Riedel

Adam J. Bridgeman

Dr Nigel Young
Senior Lecturer/ Director of Studies/ Deputy Head of Chemistry and Biochemistry/ Industrial Placements Coordinator


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.

Journal Article Type Article
Publication Date Feb 1, 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
APA6 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
Keywords Matrix isolation, PdF₆, Palladium atoms
Publisher URL
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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