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Binary Lead Fluoride Pb3F8
Authors:Dipl.-Chem. H. Lars Deubner  Malte Sachs  Jascha Bandemehr  Dr. Sergei I. Ivlev  Prof. Dr. Antti J. Karttunen  Stefan R. Kachel  Benedikt P. Klein  Lukas Ruppenthal  Maik Schöniger  Claudio K. Krug  Jan Herritsch  Prof. Dr. J. Michael Gottfried  Jamal N. M. Aman  Prof. Dr. Jörn Schmedt auf der Günne  Prof. Dr. Florian Kraus
Affiliation:1. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str. 4, 35032 Marburg, Germany

These authors contributed equally.;2. Fachbereich Chemie, Philipps-Universität Marburg, Hans-Meerwein-Str. 4, 35032 Marburg, Germany;3. Department of Chemistry and Materials Science, Aalto University, 00076 Aalto, Finland;4. Inorganic Materials Chemistry, University of Siegen, Adolf-Reichwein-Str. 2, 57076 Siegen, Germany

Abstract:The binary lead fluoride Pb3F8 was synthesized by the reaction of anhydrous HF with Pb3O4 or by the reaction of BrF3 with PbF2. The compound was characterized by single-crystal and powder X-ray diffraction, IR, Raman, and solid-state MAS 19F NMR spectroscopy, as well as thermogravimetric analysis, XP and near-edge X-ray absorption fine structure (NEXAFS) spectroscopy. Solid-state quantum-chemical calculations are provided for the vibrational analyses and band assignments. The electronic band structure offers an inside view of the mixed valence compound.
Keywords:IR and Raman spectroscopy  lead fluoride  NEXAFS  NMR spectroscopy  quantum chemical calculations
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