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Experimental evidence for the molecular molybdenum fluorides MoF to MoF6: a matrix isolation and DFT investigation

Sakr, Ahmed; Snelling, Howard V.; Young, Nigel A.

Authors

Ahmed Sakr

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



Abstract

All of the molecular molybdenum fluorides, MoF to MoF6, have been synthesised from the reaction of thermally evaporated molybdenum atoms with fluorine molecules and atoms, trapped in argon matrices, and characterised by matrix isolation IR spectroscopy in conjunction with DFT calculations. This includes the first spectroscopic characterisation of MoF and MoF2, the latter of which is very bent with a bond angle of ca. 133°, the reassignment of the IR spectral data for trigonal planar MoF3, the observation of tetrahedral MoF4, the assignment of new features to MoF5 which displays a Jahn-Teller distorted trigonal bipyramidal structure, and octahedral MoF6. When the reaction of fluorine molecules and heated molybdenum is allowed to take place, MoF6, MoF4 and (MoF5)3 are observed.

Citation

Sakr, A., Snelling, H. V., & Young, N. A. (2022). Experimental evidence for the molecular molybdenum fluorides MoF to MoF6: a matrix isolation and DFT investigation. New journal of chemistry = Nouveau journal de chimie, 46(20), 9666-9684. https://doi.org/10.1039/d1nj06062g

Journal Article Type Article
Acceptance Date Apr 19, 2022
Online Publication Date Apr 25, 2022
Publication Date Apr 25, 2022
Deposit Date Jun 1, 2022
Publicly Available Date Jun 6, 2022
Journal New Journal of Chemistry
Print ISSN 1144-0546
Electronic ISSN 1369-9261
Publisher Royal Society of Chemistry
Peer Reviewed Peer Reviewed
Volume 46
Issue 20
Pages 9666-9684
DOI https://doi.org/10.1039/d1nj06062g
Public URL https://hull-repository.worktribe.com/output/4006568

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