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Zeitschrift für Naturforschung B

A Journal of Chemical Sciences


IMPACT FACTOR 2018: 0.961

CiteScore 2018: 0.91

SCImago Journal Rank (SJR) 2018: 0.263
Source Normalized Impact per Paper (SNIP) 2018: 0.505

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1865-7117
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Volume 69, Issue 11-12

Issues

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

Ulrich Herber
  • Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstr. 5 – 13, 81377 München, Germany
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/ Alexander Hoffmann
  • Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstr. 5 – 13, 81377 München, Germany
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/ Charles Lochenie
  • Universität Bayreuth, Anorganische Chemie II, Universitätsstraße 30, NW I, 95440 Bayreuth, Germany
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/ Birgit Weber
  • Universität Bayreuth, Anorganische Chemie II, Universitätsstraße 30, NW I, 95440 Bayreuth, Germany
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/ Sonja Herres-Pawlis
  • Corresponding author
  • Department Chemie, Ludwig-Maximilians-Universität München, Butenandtstr. 5 – 13, 81377 München, Germany
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Published Online: 2015-03-19 | DOI: https://doi.org/10.5560/znb.2014-4176

Abstract

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

Keywords: Iron; Bis(pyrazolyl)methane Complexes; X-Ray Crystallography; DFT; NBO

About the article

Received: 2014-08-05

Published Online: 2015-03-19

Published in Print: 2014-12-01


Citation Information: Zeitschrift für Naturforschung B, Volume 69, Issue 11-12, Pages 1206–1214, ISSN (Online) 1865-7117, ISSN (Print) 0932-0776, DOI: https://doi.org/10.5560/znb.2014-4176.

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© 1946 – 2014: Verlag der Zeitschrift für Naturforschung.

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