Highlights with ‘EPR’

Unraveling structure and reactivity of Pt complexes: NMR & EPR

A recent combined experimental and theoretical study by the Kaupp group scrutinizes transition metal phosphanide chemistry which helps to understand catalytic processes involved in C-P bond formation and breaking. The reaction of a Pt-PPh3 with...

ADF developer Jochen Autschbach wins Schoellkopf Medal

Many congratulations to Jochen for winning the 2019 Schoellkopf Medal! In ADF, Jochen has implemented very useful methods for spectroscopic properties (NMR, EPR, NLO), including accurate and efficient relativistic treatment and analysis tools. Check out...

Stable GaX2, InX2 and TlX2 radicals

Group 13 M(II) species are very rare and unstable, yet may well be key electron transfer intermediates. Employing bulky boryl ligands, thermally stable M(boryl)2 complexes (M=Ga,In,Tl) have been isolated and characterized for the first time....

Stable Aminyl Radical Metal Complex supported by ADF EPR calculations

Chemistry & Engineering News (January 17, 2005 issue, page 34) reports about the recent Science paper Science, vol. 307, p.235 (2005) by a team of the ETH Zurich, led by Prof. Gr├╝tzmacher. The team has...

Bonding in Dinuclear Metalloradicals

Metal-metal interactions in paramagnetic, multinuclear transition metal complexes are critical to the reactivity of metalloproteins, and understanding them is important in the development of functional metal-containing polymers. Particularly, the bonding and spectroscopic properties of the...

Hydrogen evolution catalyst characterized with EPR

In a quest to further advance the hydrogen economy, diiron complexes, mimicking [FeFe]-H2ases have been widely studied as cheaper and more sustainable catalysts for the hydrogen evolution reaction (HER). Researchers from the University of Illinois...