Universität zu Köln

Gerhards, Harald, Krest, Alexander, Eulgem, Patrick J., Naumann, Dieter, Rokitta, Dennis, Valldor, Martin and Klein, Axel ORCID: 0000-0003-0093-9619 (2015). Syntheses and coordination chemistry of perfluoroaryl-1H-tetrazoles. Polyhedron, 100. S. 271 - 282. OXFORD: PERGAMON-ELSEVIER SCIENCE LTD. ISSN 0277-5387

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Abstract

Attempts to prepare fluorinated 5-aryl-1H-tetrazoles by various methods were successful for (3,5-bis(trifluoromethyl)phenyl)tetrazole (BTFTH) and in part for 5-pentafluoropenyltetrazole (F(5)PhTetH) and 5-(tetrafluoro-4-pyridinyl)tetrazole (F(4)PyTetH). For BTFTH, several different methods gave satisfactory yields and purity. For the other compounds, the same methods allowed only the observation of the desired species in very small quantities in ill-defined reaction product mixtures with azidodefluorination being the dominant side reaction. Negative ionising MS proved to be superior to other MS methods showing clean elimination of mainly N-2 and CF2 from the tetrazolate anions. From BTFTH, the Cu complex [(BTFT)(2)Cu(Py)(2)](n) could be obtained and fully characterised, including crystal structure determination (for the complex and the ligand). Magnetic and EPR data for the polymeric [(BTFT)(2)Cu(Py)(2)](n) suggest that the superexchange (SE) between the Cu2+ ions (S = 1/2) is negligible. This can be understood by examining the crystal structure and the details of the possible SE path. (C) 2015 Elsevier Ltd. All rights reserved.

Item Type:	Journal Article
Creators:	Creators Email ORCID ORCID Put Code Gerhards, Harald UNSPECIFIED UNSPECIFIED UNSPECIFIED Krest, Alexander UNSPECIFIED UNSPECIFIED UNSPECIFIED Eulgem, Patrick J. UNSPECIFIED UNSPECIFIED UNSPECIFIED Naumann, Dieter UNSPECIFIED UNSPECIFIED UNSPECIFIED Rokitta, Dennis UNSPECIFIED UNSPECIFIED UNSPECIFIED Valldor, Martin UNSPECIFIED UNSPECIFIED UNSPECIFIED Klein, Axel UNSPECIFIED orcid.org/0000-0003-0093-9619 UNSPECIFIED
URN:	urn:nbn:de:hbz:38-387223
DOI:	10.1016/j.poly.2015.08.006
Journal or Publication Title:	Polyhedron
Volume:	100
Page Range:	S. 271 - 282
Date:	2015
Publisher:	PERGAMON-ELSEVIER SCIENCE LTD
Place of Publication:	OXFORD
ISSN:	0277-5387
Language:	English
Faculty:	Faculty of Mathematics and Natural Sciences
Divisions:	Faculty of Mathematics and Natural Sciences > Department of Chemistry > Institute of Inorganic Chemistry
Subjects:	no entry
Uncontrolled Keywords:	Keywords Language METAL-ORGANIC FRAMEWORKS; REUSABLE HETEROGENEOUS CATALYST; PYRIDYL-TETRAZOLE LIGANDS; 5-SUBSTITUTED 1H-TETRAZOLES; MASS-SPECTROMETRY; 1,3-DIPOLAR CYCLOADDITION; ASSISTED SYNTHESIS; AZIDO COMPLEXES; BRIDGING LIGAND; SPIN-CROSSOVER Multiple languages Chemistry, Inorganic & Nuclear; Crystallography Multiple languages
Refereed:	Yes
URI:	http://kups.ub.uni-koeln.de/id/eprint/38722