Working Paper
Authors
- Martí Garçon Imperial College London ,
- Andreas Phanopolous Imperial College London ,
- George Sackman University of Oxford ,
- Chris Richardson University of Wollongong ,
- Andrew white Imperial College London ,
- Richard Cooper University of Oxford ,
- Alison Edwards ANSTO ,
- Mark Crimmin
Imperial College London
Abstract
New heterometallic hydride complexes that involve the addition of {Mg–H} and {Zn–H} bonds to group 10 transition metals (Pd, Pt) are reported. The side-on coordination of a single {Mg–H} to Pd forms a well-defined σ-complex. In contrast, addition of three {Mg–H} or {Zn–H} bonds to Pd or Pt results in the formation of planar complexes with subtly different geometries. We compare their structures through experiment (X-ray diffraction, neutron diffraction, multinuclear NMR), computational methods (DFT, QTAIM, NCIPlot), and theoretical analysis (MO diagram, Walsh diagram). These species can be described as snapshots along a continuum of bonding between ideal trigonal planar and hexagonal planar geometries.
Content

Supplementary material

Supporting Information
Experimental and Computational details. Supporting data.
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Computational Coordinates
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