The continuum between hexagonal planar and trigonal planar geometries

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dc.contributor.authorGarcon, Men_AU
dc.contributor.authorPhanopoulos, Aen_AU
dc.contributor.authorSackman, GAen_AU
dc.contributor.authorRichardson, Cen_AU
dc.contributor.authorWhite, AJPen_AU
dc.contributor.authorCooper, RIen_AU
dc.contributor.authorEdwards, AJen_AU
dc.contributor.authorCrimmin, MRen_AU
dc.date.accessioned2025-10-17T04:04:33Zen_AU
dc.date.available2025-10-17T04:04:33Zen_AU
dc.date.issued2022-03-22en_AU
dc.date.statistics2025-09-26en_AU
dc.description.abstractNew 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.en_AU
dc.identifier.citationGarçon, 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-revieweden_AU
dc.identifier.journaltitleChemRxiven_AU
dc.identifier.uridoi:10.26434/chemrxiv-2022-t4wz6-v2en_AU
dc.identifier.urihttps://apo.ansto.gov.au/handle/10238/16620en_AU
dc.language.isoenen_AU
dc.publisherChemRxiven_AU
dc.subjectHexagonal latticesen_AU
dc.subjectLigandsen_AU
dc.subjectHydridesen_AU
dc.subjectX-ray diffractionen_AU
dc.subjectMetalsen_AU
dc.subjectNeutron diffractionen_AU
dc.subjectMagnesiumen_AU
dc.subjectZincen_AU
dc.subjectPalladiumen_AU
dc.subjectCatalysisen_AU
dc.titleThe continuum between hexagonal planar and trigonal planar geometriesen_AU
dc.typeJournal Articleen_AU
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