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Searching for Monomeric Nickel Tetrafluoride: Unravelling Infrared Matrix Isolation Spectra of Higher Nickel Fluorides
Ist Teil von
Angewandte Chemie (International ed.), 2021-03, Vol.60 (12), p.6391-6394
Auflage
International ed. in English
Ort / Verlag
Germany: Wiley Subscription Services, Inc
Erscheinungsjahr
2021
Link zum Volltext
Quelle
Alma/SFX Local Collection
Beschreibungen/Notizen
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.
Molecular NiF3 and NiF4 are the missing tri‐ and tetrafluorides of the otherwise known binary first‐row transition‐metal fluorides that are predicted to be stable. These elusive high‐valent molecular nickel fluorides were identified in rare‐gas matrices aided by high‐level quantum chemical electronic structure calculations. They are among the most powerful known fluorination and oxidation agents.