Determination of geometrical parameters of excited states. Application to d6 transition metal complexes of O and D4 symmetry

1976 ◽  
Vol 80 (20) ◽  
pp. 2232-2239 ◽  
Author(s):  
K. W. Hipps ◽  
G. A. Merrell ◽  
G. A. Crosby
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Excited States ◽  
Transition Metal Complexes ◽  
Geometrical Parameters

scholarly journals Characterization of reactive organometallic species via MicroED

2019 ◽  
Author(s):  
Christopher Jones ◽  
Matthew Asay ◽  
Lee Joon Kim ◽  
Jack Kleinsasser ◽  
Ambarneil Saha ◽  
...  
Keyword(s):  
Transition Metal ◽  
Metal Complexes ◽  
Transition Metal Complexes ◽  
Cryogenic Cooling ◽  
Structural Determination ◽  
X Ray ◽  
X Ray Crystallography ◽  
Diamagnetic Transition

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.

scholarly journals Quantitative wave function analysis for excited states of transition metal complexes

2018 ◽  
Vol 361 ◽  
pp. 74-97 ◽  
Author(s):  
Sebastian Mai ◽  
Felix Plasser ◽  
Johann Dorn ◽  
Maria Fumanal ◽  
Chantal Daniel ◽  
...  
Keyword(s):  
Wave Function ◽  
Transition Metal ◽  
Metal Complexes ◽  
Excited States ◽  
Transition Metal Complexes ◽  
Function Analysis ◽  
Wave Function Analysis
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