10.1021/om301219t.s001
Steven
E. Kalman
Steven
E.
Kalman
Alban Petit
Alban
Petit
T. Brent Gunnoe
T. Brent
Gunnoe
Daniel H. Ess
Daniel H.
Ess
Thomas R. Cundari
Thomas R.
Cundari
Michal Sabat
Michal
Sabat
Facile and Regioselective C–H Bond Activation
of Aromatic Substrates by an Fe(II) Complex Involving a Spin-Forbidden
Pathway
American Chemical Society
2013
Fe
bond
NCMe dissociation
activation
Aromatic Substrates
Cp
intersystem crossings
2013-03-25 00:00:00
Dataset
https://acs.figshare.com/articles/dataset/Facile_and_Regioselective_C_H_Bond_Activation_of_Aromatic_Substrates_by_an_Fe_II_Complex_Involving_a_Spin_Forbidden_Pathway/2431744
The
Fe(II) complex Cp*Fe(CO)(NCMe)Ph (Cp* = η<sup>5</sup>-pentamethylcyclopentadienyl)
is shown to mediate facile and highly
regioselective C–H activation of aromatic substrates including
benzene, furan, thiophene, thiazole, and 2-methylfuran. Experimental
and computational evidence suggest a mechanism for C–H activation
that involves NCMe dissociation, multiple spin intersystem crossings,
C–H bond coordination, and C–H bond cleavage by a σ-bond
metathesis reaction.