5 years ago

Cover Picture: Insights into trans-Ligand and Spin-Orbit Effects on Electronic Structure and Ligand NMR Shifts in Transition-Metal Complexes (Chem. Eur. J. 41/2017)

Cover Picture: Insights into trans-Ligand and Spin-Orbit Effects on Electronic Structure and Ligand NMR Shifts in Transition-Metal Complexes (Chem. Eur. J. 41/2017)
Martin Kaupp, Peter Hrobárik, Anja H. Greif
The nature of the trans ligand influences the ligand NMR shifts in 5d transition-metal complexes, dominated by spin-orbit (SO) effects. As analyzed for various Au(I) and Pt(II) hydride complexes, an increase in trans ligand influence may even change the sign of these SO shifts from shielding to deshielding for d10 or d8 complexes, due to the destabilization of a σ(H-M-L)-type MO by stronger trans ligands and thus modified σ-/π-spinor mixing. This allows general shift predictions. More information can be found in the Full Paper by M. Kaupp et al. on page 9790.

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/chem.201701557

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