Universität zu Köln

Badea, D., Dardenne, K., Polly, R., Rothe, J., Hanrath, M., Reimer, M., Meerholz, K., Neudoerfl, J-M, Strub, E. and Bruns, J. (2022). Reaction of Pertechnetate in Highly Alkaline Solution: Synthesis and Characterization of the Nitridotrioxotechnetate Ba[TcO3N]. Chem.-Eur. J., 28 (63). WEINHEIM: WILEY-V C H VERLAG GMBH. ISSN 1521-3765

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Abstract

The preparation of novel technetium oxides, their characterization and the general investigation of technetium chemistry are of significant importance, since fundamental research has so far mainly focused on the group homologues. Whereas the structure chemistry of technetium in strongly oxidizing media is dominated by the [TcO4](-) anion, our recent investigation yielded the new [TcO3N](2-) anion. Brown single crystals of Ba[TcO3N] were obtained under hydrothermal conditions starting from Ba(OH)(2)center dot 8H(2)O and NH4[TcO4] at 200 degrees C. Ba[TcO3N] crystallizes in the monoclinic crystal system with the space group P2(1)/n (a = 7.2159(4) angstrom, b = 7.8536(5) angstrom, c = 7.4931(4) angstrom and beta = 104.279(2)degrees). The crystal structure of Ba[TcO3N] consists of isolated [TcO3N](2-) tetrahedra, which are surrounded by Ba2+ cations. XANES measurements complement the oxidation state +VII for technetium and Raman spectroscopic experiments on Ba[TcO3N] single crystals exhibit characteristic Tc-O and Tc-N vibrational modes.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Badea, D. UNSPECIFIED UNSPECIFIED UNSPECIFIED Dardenne, K. UNSPECIFIED UNSPECIFIED UNSPECIFIED Polly, R. UNSPECIFIED UNSPECIFIED UNSPECIFIED Rothe, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Hanrath, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Reimer, M. UNSPECIFIED UNSPECIFIED UNSPECIFIED Meerholz, K. UNSPECIFIED UNSPECIFIED UNSPECIFIED Neudoerfl, J-M UNSPECIFIED UNSPECIFIED UNSPECIFIED Strub, E. UNSPECIFIED UNSPECIFIED UNSPECIFIED Bruns, J. UNSPECIFIED UNSPECIFIED UNSPECIFIED
URN:	urn:nbn:de:hbz:38-670104
DOI:	10.1002/chem.202201738
Journal or Publication Title:	Chem.-Eur. J.
Volume:	28
Number:	63
Date:	2022
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 TOTAL-ENERGY CALCULATIONS; AUXILIARY BASIS-SETS; TRIPLE-ZETA VALENCE; GAUSSIAN-BASIS SETS; THERMODYNAMIC DESCRIPTION; TC(IV) SOLUBILITY; OXIDATION-STATES; TECHNETIUM; ATOMS; PSEUDOPOTENTIALS Multiple languages Chemistry, Multidisciplinary Multiple languages
URI:	http://kups.ub.uni-koeln.de/id/eprint/67010