Inorganic Chemistry

Characterization of reactive organometallic species via MicroED

Abstract

Here we apply microcrystal electron diffraction (MicroED) to the structural determination of transition metal complexes. We find that the simultaneous use of 300 keV electrons, very low electron doses, and an ultra-sensitive camera allows for the collection of data without cryogenic cooling of the stage. This technique reveals the first crystal structures of the classic zirconocene hydride, colloquially known as “Schwartz’s reagent”, a novel Pd(II) complex not amenable to solution-state NMR or X-ray crystallography, and five other paramagnetic or diamagnetic transition metal complexes.

Content

Thumbnail image of Characterization of reactive organometallic species via MicroED-ChemRxiv.pdf

Supplementary material

Thumbnail image of Movie S1.mp4
Movie S1
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Movie S2
Thumbnail image of SI-Characterization of reactive organometallic species via MicroED.pdf
SI-Characterization of reactive organometallic species via MicroED
Thumbnail image of Feacac.txt
Feacac
Thumbnail image of Grubbs.txt
Grubbs
Thumbnail image of Nidppf.txt
Nidppf
Thumbnail image of Pd-II-dimer.txt
Pd-II-dimer
Thumbnail image of PdPHOX.txt
PdPHOX
Thumbnail image of Rh-H.txt
Rh-H
Thumbnail image of schwartz_refined_v4.txt
schwartz refined v4