Next Article in Journal / Special Issue
Structure and Magnetic Properties of the Spin Crossover Linear Trinuclear Complex [Fe3(furtrz)6(ptol)2(MeOH)4]·4(ptol)·4(MeOH) (furtrz: furanylidene-4H-1,2,4-triazol-4-amine ptol: p-tolylsulfonate)
Previous Article in Journal
Heptanuclear [FeIII6CrIII]3+ Complexes Experimentally Studied by Means of Magnetometry, X-ray Diffraction, XAS, XMCD and Spin-Polarized Electron Spectroscopy in Cross-Comparison with [MnIII6CrIII]3+ Single-Molecule Magnets
Previous Article in Special Issue
Heteroleptic Iron(III) Spin Crossover Complexes; Ligand Substitution Effects
Article Menu

Export Article

Open AccessArticle
Magnetochemistry 2016, 2(1), 6;

Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes

Laboratoire de Chimie Quantique, Université de Strasbourg, 4 rue Blaise Pascal, F-67000 Strasbourg, France
Departament de Química Física and Institut de Química Teòrica i Computacional (IQTCUB), Universitat de Barcelona, Av. Diagonal 645, 08028 Barcelona, Spain
Author to whom correspondence should be addressed.
Academic Editors: Guillem Aromí and José Antonio Real
Received: 8 January 2016 / Revised: 22 January 2016 / Accepted: 29 January 2016 / Published: 5 February 2016
(This article belongs to the Special Issue Spin Crossover (SCO) Research)
Full-Text   |   PDF [2209 KB, uploaded 5 February 2016]   |  


The family of the spin crossover (SCO) compounds based on the 1-bpp unit has furnished striking examples of how subtle changes in the crystal packing have important consequences in their spin transition. Small modifications of the 1-bpp unit itself have been recently reported, obtaining the indazolyl and pirazolyl derivatives [FeII(1-bip)]2+ (1, 1-bip = 2,6-bis(indazol-1-yl)pyridine), [FeII(1,2-bip)]2+ (2, 1,2-bip = 2-(indazol-1-yl)-6-(indazol-2-yl)pyridine), [FeII(2-bip)]2+ (3, 2-bip = 2,6-bis(indazol-2-yl)pyridine), [FeII(1-ipp)]2+ (4, 1-ipp = 2-(indazol-1-yl)-6-(pyrazol-1-yl)pyridine) and [FeII(2-ipp)]2+ (5, 2-ipp = 2-(indazol-2-yl)-6-(pyrazol-1-yl)pyridine). In this work we study the consequences of a change in the ligand structure and solvent on the SCO of 15. More specifically, we demonstrate that their different behavior is not due to an intraligand H···H contact, as suggested experimentally, but to an unfavorable arrangement of the FeN6 core that some of the ligands might create, which destabilizes their Low Spin (LS) state structure and, thus, alters the transition temperature. Further, by means of solid state calculations, we disclose the effect of the solvent on the structure and crystal cohesion of the crystals. Finally, we analyze the emission and adsorption properties of 15, with special interest in the evolution of the absorption spectroscopy of the ligands upon complexation, and its relation with the spin multiplicity of the iron ion. View Full-Text
Keywords: spin crossover; density functional theory; optical properties; magnetism spin crossover; density functional theory; optical properties; magnetism

Figure 1

This is an open access article distributed under the Creative Commons Attribution License which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited (CC BY 4.0).

Supplementary material


Share & Cite This Article

MDPI and ACS Style

Vela, S.; Gourlaouen, C.; Fumanal, M.; Ribas-Arino, J. Disclosing the Ligand- and Solvent-Induced Changes on the Spin Transition and Optical Properties of Fe(II)-Indazolylpyridine Complexes. Magnetochemistry 2016, 2, 6.

Show more citation formats Show less citations formats

Note that from the first issue of 2016, MDPI journals use article numbers instead of page numbers. See further details here.

Related Articles

Article Metrics

Article Access Statistics



[Return to top]
Magnetochemistry EISSN 2312-7481 Published by MDPI AG, Basel, Switzerland RSS E-Mail Table of Contents Alert
Back to Top