Radical stabilizing ability of the ferrocenyl and cyclobutadieneiron tricarbonyl groups

Authors
Creary, X
Citation
X. Creary, Radical stabilizing ability of the ferrocenyl and cyclobutadieneiron tricarbonyl groups, ORG LETT, 2(14), 2000, pp. 2069-2072
Citations number
13
Categorie Soggetti
Organic Chemistry/Polymer Science
Journal title
ORGANIC LETTERS
ISSN journal
15237060 → ACNP
Volume
2
Issue
14
Year of publication
2000
Pages
2069 - 2072
Database
ISI
SICI code
1523-7060(20000713)2:14<2069:RSAOTF>2.0.ZU;2-Y
Abstract
GRAPHICS Computational studies indicate that ferrocenyl substituted methyl radicals owe their stability to a spin delocalization mechanism involving Fe and a m ajor contribution from an eta(4) form, Cyclobutadieneiron tricarbonyl subst ituted methyl radicals are also calculated to be highly stabilized by spin delocalization onto Fe and a major contribution from an eta(3) form.