Abstract
AbstractDensity functional quantum‐chemical calculations for mononuclear fragments, [FeII(pyim)2(bpy)]2+ [pyim = 2‐(2‐pyridyl)imidazole] and [FeII(aqin)2(bpy)]2+ (aqin = 8‐aminoquinoline), of two recently synthesized spin‐crossover compounds forming zigzag and linear coordination polymers, respectively, have been performed. The calculations suggest that the overall structure of the polymers is defined by the preference of the bidentate ligands for the cis or trans coordination mode, which in turn is determined by the character and efficiency of metal–ligand π‐interactions. This hypothesis is used to predict the structures of two other spin‐transition compounds, which have not been studied by X‐ray crystallography.(© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2008)
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
