Characterization of an Iron–Ruthenium Interaction in a Ferrocene Diamide Complex
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https://figshare.com/articles/dataset/Characterization_of_an_Iron_Ruthenium_Interaction_in_a_Ferrocene_Diamide_Complex/2418361
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资源简介：
Reaction
of [fc(NH2)2]RuCl2(PPh3)2 (fc = 1,1′-ferrocenylene) with 2 equiv
of KOtBu led to the formation of a diamido ruthenium complex,
[fc(NH)2]Ru(PPh3)2, 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)2]Ru(PPh3)2. The Fe–Ru
interaction was characterized by resonance Raman spectroscopy for
the first time and also by 1H 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.
创建时间：
2016-02-19
