Radical stabilizing ability of the ferrocenyl and cyclobutadieneiron tricarbonyl groups
Computational studies indicate that ferrocenyl-substituted methyl radicals owe their stability to a spin delocalization mechanism involving Fe and a major contribution from an eta(4) form. Cyclobutadieneiron tricarbonyl substituted methyl radicals are also calculated to be highly stabilized by spin delocalization onto Fe and a major contribution from an eta(3) form.
Creary
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Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556, USA.