Characterization of an Iron–Ruthenium Interaction in a Ferrocene Diamide Complex
dataset
posted on 2013-05-06, 00:00 authored by Aaron
G. Green, Matthew D. Kiesz, Jeremy V. Oria, Andrew G. Elliott, Andrew K. Buechler, Johannes Hohenberger, Karsten Meyer, Jeffrey I. Zink, Paula L. DiaconescuReaction
of [fc(NH<sub>2</sub>)<sub>2</sub>]RuCl<sub>2</sub>(PPh<sub>3</sub>)<sub>2</sub> (fc = 1,1′-ferrocenylene) with 2 equiv
of KO<sup>t</sup>Bu led to the formation of a diamido ruthenium complex,
[fc(NH)<sub>2</sub>]Ru(PPh<sub>3</sub>)<sub>2</sub>, whose solid-state
molecular structure revealed a short Fe–Ru distance. A metal-to-metal
charge transfer band was observed in the electronic absorption spectrum
of [fc(NH)<sub>2</sub>]Ru(PPh<sub>3</sub>)<sub>2</sub>. The Fe–Ru
interaction was characterized by resonance Raman spectroscopy for
the first time and also by <sup>1</sup>H NMR, UV–vis, NIR,
Mössbauer spectroscopy, and X-ray crystallography. Density
functional theory (DFT) calculations including natural bond order
analysis, Bader’s atom in molecules method, and time-dependent
DFT (TDDFT) provided further support that the iron–ruthenium
bond is a weak donor–acceptor interaction with iron acting
as the Lewis base.
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