L.A. gratefully acknowledges financial support from DOE Grant DE-SC0001034 and NCSA computing Grant CHE07-0004N. S.R. thanks the DFG project HA 5639/3-1 and the Fonds der Chemischen Industrie (FCI) for financial support, the BWGrid cluster for computational resources, and Profs. I. Krossing and H. Hillebrecht for their generous and continuous support.
Communication
Spectroscopic Observation of a Group 12 Oxyfluoride: A Matrix-Isolation and Quantum-Chemical Investigation of Mercury Oxyfluorides†
Article first published online: 18 JUL 2012
DOI: 10.1002/anie.201204331
Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim
Additional Information
How to Cite
Andrews, L., Wang, X., Gong, Y., Schlöder, T., Riedel, S. and Franger, M. J. (2012), Spectroscopic Observation of a Group 12 Oxyfluoride: A Matrix-Isolation and Quantum-Chemical Investigation of Mercury Oxyfluorides . Angew. Chem. Int. Ed., 51: 8235–8238. doi: 10.1002/anie.201204331
- †
Publication History
- Issue published online: 7 AUG 2012
- Article first published online: 18 JUL 2012
- Manuscript Received: 4 JUN 2012
Funded by
- DOE. Grant Number: DE-SC0001034
- NCSA. Grant Number: CHE07-0004N
- DFG. Grant Number: HA 5639/3-1
- Fonds der Chemischen Industrie
- FCI
Keywords:
- fluorine;
- high oxidation states;
- matrix isolation;
- mercury;
- oxyfluorides
Getting to the root of Hg: Experiments with amalgams as a source for laser-ablated Hg atoms as reaction partners with OF2 gave strong HgF2 IR absorptions and new bands in the Hg
F stretching region for OHgF and FOHgF molecules trapped in solid neon and argon. Assignment of these new bands to the first oxyfluoride of mercury, OHgF, and to the FOHgF insertion product is supported by quantum-chemical methods.

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