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N-Donor Competition in Iron Bis(chelate) Bis(pyrazolyl)pyridinylmethane Complexes

Title data

Herber, Ulrich ; Hoffmann, Alexander ; Lochenie, Charles ; Weber, Birgit ; Herres-Pawlis, Sonja:
N-Donor Competition in Iron Bis(chelate) Bis(pyrazolyl)pyridinylmethane Complexes.
In: Zeitschrift für Naturforschung B. Vol. 69 (2014) Issue 11-12 . - pp. 1206-1214.
ISSN 1865-7117
DOI: https://doi.org/10.5560/znb.2014-4176

Abstract in another language

We report on the synthesis and structural characterisation of the bis(chelate) bis(pyrazolyl)pyridinylmethane iron(II) complexes [Fe{HC(Pz)2(Py)}2][CF3CO2]2, [Fe{HC(3-iPrPz)(5-iPrPz)(Py)}2][CF3SO3]2 and [Fe{HC(3-iPrPz)(5-iPrPz)(Py)}2][FeBr4]Br·2C4H8O. During the synthesis of the latter ones, an isomerisation of the ligand is observed: the pyrazolyl substituent formally moves from the 3 to the 5 position. Since the donor competition between pyrazolyl and pyridinyl moieties is important for the coordination properties, we also studied the donor properties by density functional theory and natural bond orbital analysis (NBO). As a result, the pyridinyl donor is generally weaker than the pyrazolyl donor, but the pyrazolyl donor is heavily influenced by the alkyl substitution pattern. To confirm the low-spin state of the complexes, magnetic susceptibility measurements have been performed.

Further data

Item Type: Article in a journal
Refereed: Yes
Institutions of the University: Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry IV > Chair Anorganic Chemistry IV - Univ.-Prof. Dr. Birgit Weber
Faculties
Faculties > Faculty of Biology, Chemistry and Earth Sciences
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry
Faculties > Faculty of Biology, Chemistry and Earth Sciences > Department of Chemistry > Chair Anorganic Chemistry IV
Result of work at the UBT: No
DDC Subjects: 500 Science > 540 Chemistry
Date Deposited: 28 Jul 2017 10:15
Last Modified: 28 Jul 2017 10:15
URI: https://eref.uni-bayreuth.de/id/eprint/38875