Related Experiment Video
Updated: Apr 10, 2026

Accessing Valuable Ligand Supports for Transition Metals: A Modified, Intermediate Scale Preparation of 1,2,3,4,5-Pentamethylcyclopentadiene
Published on: March 20, 2017
Reversing the relative 3MLCT-3MC order in Fe(ii) complexes using cyclometallating ligands: a computational study
Isabelle M Dixon1, Fabienne Alary, Martial Boggio-Pasqua
1Laboratoire de Chimie et Physique Quantiques, UMR 5626 CNRS/Université Paul Sabatier-Toulouse III, Toulouse, France. isabelle.dixon@irsamc.ups-tlse.fr.
Abstract:
Following a computational approach, the use of strongly electron-donating cyclometallating ligands has allowed us to increase the (3)MC-(3)MLCT gap dramatically in Fe(ii) bis(tridentate) polypyridine complexes, and eventually to reverse the ordering between these states, yielding a (3)MLCT state that is clearly more stable than the (3)MC state. Simultaneously, the quintet excited states ((5)MC and (5)MLCT) are displaced away from the region (in terms of geometry and energy) where classical photophysics occur, allowing us to avoid magnetism. The situation is thus similar to that of classical ruthenium polypyridine complexes. This opens the way towards luminescent iron(ii) complexes, in particular Fe(ii)bis(6-phenyl-2,2'-bipyridine) Fe(NNC)(2).
More Related Videos
13:21Preparation, Purification, and Characterization of Lanthanide Complexes for Use as Contrast Agents for Magnetic Resonance Imaging
Published on: July 21, 2011
11:04Ion Mobility-Mass Spectrometry Techniques for Determining the Structure and Mechanisms of Metal Ion Recognition and Redox Activity of Metal Binding Oligopeptides
Published on: September 7, 2019
Related Concept Videos
Woodward–Hoffmann Selection Rules and Microscopic Reversibility
Colors and Magnetism
When atoms or molecules absorb light at the proper frequency, their electrons are excited to higher-energy orbitals. For many main group atoms and molecules, the absorbed photons are in the ultraviolet range of the electromagnetic spectrum, which cannot be detected by the human eye. For coordination compounds, the energy difference between the d orbitals often allows photons in the visible range to be absorbed and emitted, which is seen as colors by the human...
Complexation Equilibria: Factors Influencing Stability of Complexes
Thermal Electrocyclic Reactions: Stereochemistry
Selection Rules: Thermal Activation
Conjugated systems containing an even number of π-electron pairs undergo a conrotatory ring closure. For example, thermal electrocyclization of (2E,4E)-2,4-hexadiene, a conjugated diene containing two π-electron pairs, gives trans-3,4-dimethylcyclobutene.
Extraction: Advanced Methods
Complexation Equilibria: The Chelate Effect