High-spin carbonyl complexes of iron(I) and cobalt(I).

Christian SchneiderLukas GuggolzC Gunnar Werncke

Published in: Dalton transactions (Cambridge, England : 2003) (2021)

Metal carbonyl complexes are almost exclusively found in a low-spin state due to the strong-field nature of the CO ligand. Here the characterisation of highly labile three-coordinate metal(I) monocarbonyl complexes of iron and cobalt is presented. Experimental and quantum chemical examinations reveal their high-spin configuration.

Keyphrases

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density functional theory
single molecule
molecular dynamics
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