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Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides

Li, Lin; Sakr, Ahmed K.; Schlöder, Tobias; Klein, Siri; Beckers, Helmut; Kitsaras, Marios?Petros; Snelling, Howard V.; Young, Nigel A.; Andrae, Dirk; Riedel, Sebastian


Lin Li

Ahmed K. Sakr

Tobias Schlöder

Siri Klein

Helmut Beckers

Marios?Petros Kitsaras

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

Dirk Andrae

Sebastian Riedel


Binary transition metal fluorides are textbook examples combining complex electronic features with most fundamental molecular structures. High‐valent nickel fluorides are among the strongest known fluorinating and oxidizing agents, but there is a lack of experimental structural and spectroscopic investigations on molecular NiF3 or NiF4. Apart from their demanding synthesis, also their quantum‐chemical description is difficult due to their open shell nature and low‐lying excited electronic states. Distorted tetrahedral NiF4 (D2d) and trigonal planar NiF3 (D3h) molecules were produced by thermal evaporation and laser ablation of nickel atoms in a fluorine/noble gas mixture and spectroscopically identified by a joint matrix‐isolation and quantum‐chemical study. Their vibrational band positions provide detailed insights into their molecular structures.


Li, L., Sakr, A. K., Schlöder, T., Klein, S., Beckers, H., Kitsaras, M., …Riedel, S. (2021). Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides. Angewandte Chemie, 60(12), 6391-6394.

Journal Article Type Article
Acceptance Date Dec 10, 2020
Online Publication Date Dec 10, 2020
Publication Date Mar 15, 2021
Deposit Date Mar 10, 2021
Publicly Available Date Mar 12, 2021
Journal Angewandte Chemie
Print ISSN 1433-7851
Electronic ISSN 1521-3757
Publisher Wiley
Peer Reviewed Peer Reviewed
Volume 60
Issue 12
Pages 6391-6394
Keywords Nickel fluorides; Matrix isolation; Computational chemistry
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Published article (700 Kb)

Copyright Statement
© 2020 The Authors. Angewandte Chemie International Edition published by Wiley-VCH GmbH. This is an open access article under the terms of the Creative Commons Attribution License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited.

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