Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes

Deeth, RJ, Halcrow, MA orcid.org/0000-0001-7491-9034, Kershaw Cook, LJ et al. (1 more author) (2018) Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes. Chemistry - A European Journal, 24 (20). pp. 5204-5212. ISSN 0947-6539

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Authors/Creators:
Copyright, Publisher and Additional Information: © 2017 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim. This is the peer reviewed version of the following article: Deeth, R. J., Halcrow, M., Kershaw Cook, L. and Raithby, P. (), Ab Initio Ligand Field Molecular Mechanics and the Nature of Metal-Ligand π-Bonding in Fe(II) 2,6-di(pyrazol-1-yl)pyridine Spin Crossover Complexes. Chem. Eur. J.. doi:10.1002/chem.201704558; which will be published in final form at https://doi.org/0.1002/chem.201704558. This article may be used for non-commercial purposes in accordance with the Wiley Terms and Conditions for Self-Archiving.
Keywords: π-bonding; angular overlap model; iron complexes; ligand field molecular mechanics; spin crossover
Dates:
  • Accepted: 30 October 2017
  • Published (online): 7 November 2017
  • Published: 6 April 2018
Institution: The University of Leeds
Academic Units: The University of Leeds > Faculty of Engineering & Physical Sciences (Leeds) > School of Chemistry (Leeds) > Inorganic Chemistry (Leeds)
Funding Information:
FunderGrant number
EPSRCEP/K012568/1
Depositing User: Symplectic Publications
Date Deposited: 07 Nov 2017 15:54
Last Modified: 07 Nov 2018 01:38
Status: Published
Publisher: Wiley
Identification Number: https://doi.org/10.1002/chem.201704558

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