The electronic ground state of [Fe(CO)3 (NO)](-) : a spectroscopic and theoretical study.
During the past 10 years iron-catalyzed reactions have become established in the field of organic synthesis. For example, the complex anion [Fe(CO)3 (NO)](-) , which was originally described by Hogsed and Hieber, shows catalytic activity in various organic reactions. This anion is commonly regarded as being isoelectronic with [Fe(CO)4 ](2-) , which, however, shows poor catalytic activity. The spectroscopic and quantum chemical investigations presented herein reveal that the complex ferrate [Fe(CO)3 (NO)](-) cannot be regarded as a Fe(-II) species, but rather is predominantly a Fe(0) species, in which the metal is covalently bonded to NO(-) by two π-bonds. A metal-N σ-bond is not observed.
Institut für Organische Chemie, Universität Stuttgart, Pfaffenwaldring 55, 70569 Stuttgart (Germany).
Johannes E M N
JE
Klein
Burkhard
B
Miehlich
Michael S
MS
Holzwarth
Matthias
M
Bauer
Magdalena
M
Milek
Marat M
MM
Khusniyarov
Gerald
G
Knizia
Hans-Joachim
HJ
Werner
Bernd
B
Plietker
Enemark-Feltham notation; electronic structure; ferrates; iron catalysis; spectroscopy