Premium
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)
Author(s) -
Greif Anja H.,
Hrobárik Peter,
Kaupp Martin
Publication year - 2017
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Reports
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201701557
Subject(s) - ligand (biochemistry) , chemistry , hydride , crystallography , transition metal , trans effect , metal , crystal structure , organic chemistry , biochemistry , receptor , catalysis
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 d 10 or d 8 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.