Universität zu Köln

Scheibe, Benjamin ORCID: 0000-0002-4665-6289, Bruns, Joern, Heymann, Gunter, Sachs, Malte, Karttunen, Antti J., Pietzonka, Clemens, Ivlev, Sergei I., Huppertz, Hubert ORCID: 0000-0002-2098-6087 and Kraus, Florian ORCID: 0000-0003-4368-8418 (2019). UF4 and the High-Pressure Polymorph HP-UF4. Chem.-Eur. J., 25 (30). S. 7366 - 7375. WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3765

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Abstract

A laboratory-scale synthesis of UF4 is presented that utilizes the reduction of UF6 with sulfur in anhydrous hydrogen fluoride. An excess of sulfur can be removed by vacuum sublimation, yielding pure UF4, as shown by powder X-ray diffraction, micro X-ray fluorescence analysis, infrared and Raman spectroscopy, as well as magnetic measurements. Furthermore, a single-crystalline, high-pressure modification of UF4 was obtained in a multi-anvil press at elevated temperatures. The high-pressure polymorph HP-UF4 was characterized by means of single-crystal and powder X-ray diffraction, as well as by magnetic measurements, and presents a novel crystal structure type. Quantum-chemical calculations show the HP-modification to be 10 kJ mol(-1) per formula unit higher in energy compared to UF4.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Scheibe, Benjamin UNSPECIFIED orcid.org/0000-0002-4665-6289 UNSPECIFIED Bruns, Joern UNSPECIFIED UNSPECIFIED UNSPECIFIED Heymann, Gunter UNSPECIFIED UNSPECIFIED UNSPECIFIED Sachs, Malte UNSPECIFIED UNSPECIFIED UNSPECIFIED Karttunen, Antti J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Pietzonka, Clemens UNSPECIFIED UNSPECIFIED UNSPECIFIED Ivlev, Sergei I. UNSPECIFIED UNSPECIFIED UNSPECIFIED Huppertz, Hubert UNSPECIFIED orcid.org/0000-0002-2098-6087 UNSPECIFIED Kraus, Florian UNSPECIFIED orcid.org/0000-0003-4368-8418 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-147781
DOI:	10.1002/chem.201900639
Journal or Publication Title:	Chem.-Eur. J.
Volume:	25
Number:	30
Page Range:	S. 7366 - 7375
Date:	2019
Publisher:	WILEY-V C H VERLAG GMBH
Place of Publication:	WEINHEIM
ISSN:	1521-3765
Language:	English
Faculty:	Unspecified
Divisions:	Unspecified
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language URANIUM TETRAFLUORIDE; MAGNETIC-PROPERTIES; ACTINIDE TETRAFLUORIDES; ZIRCONIUM TETRAFLUORIDE; SULFUR-TETRAFLUORIDE; VIBRATIONAL-SPECTRA; CRYSTAL-STRUCTURE; SINGLE-CRYSTALS; BASIS-SETS; FLUORIDE Multiple languages Chemistry, Multidisciplinary Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/14778