Highlights with ‘NMR’

Pt σ-donation induces strong relativistic effects on 29Si NMR

Relativistic effects usually scale with the square of the atomic number, thereby really affecting the chemical structure and reactivity of heavy elements. If a light atom is interacting with a heavy atom, however, it can...

Charge density and NMR unravel Ni-agostic bonding

To pin down the nature of the β-agostic bond in late transition metal complexes, Scherer (Augsburg) and coworkers synthesized [(DCpH)Ni(dtbpe)]+[BF4]– (DCp = dicyclopentadiene, dtbpe = tBu2PCH2CH2PtBu2), a rigid β-agostic complex. In a combined experimental and...

ZORA DFT explains subtle 129-Xe NMR parameters

Xenon-129 NMR is a powerful technique to probe the characteristics of of surfaces, porous media and solutions, because of its extreme sensitivity to external perturbations. Accurate calculations can help to interpret experimental results which are...