The continuum between hexagonal planar and trigonal planar geometries
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Date
2022-03-22
Journal Title
Journal ISSN
Volume Title
Publisher
ChemRxiv
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.
Description
Keywords
Hexagonal lattices, Ligands, Hydrides, X-ray diffraction, Metals, Neutron diffraction, Magnesium, Zinc, Palladium, Catalysis
Citation
Garçon, M., Phanopoulos, A., Sackman, G. A., Richardson, C., White, A. J. P., Cooper, R. I., Edwards, A. J., & Crimmin, M. R. (2022). The continuum between hexagonal planar and trigonal planar geometries. ChemRxiv. 2022. doi:10.26434/chemrxiv-2022-t4wz6-v2 This content is a preprint and has not been peer-reviewed