Elucidating metal (Zr, Hf, Th, U)-hydride covalency using 1H NMR chemical shifts and density functional calculations
Year: 2026
Type: article
Abstract: Metal–ligand covalency is not fully understood for the actinides and studies comparing group IV transition metals with isostructural actinide complexes are limited. Here, the authors report [(C5Me5)2(2,6-iPr2C6H3O)M(H)] (M = Hf, Th, and U) complexes and compare them to a Zr analogue, exploring the differences between transition metal and actinide bonding situations.
Source: Communications Chemistry
Language: English
Subfield: Organic Chemistry
Field: Chemistry
Domain: Physical Sciences
Open Access status: gold
Estimated APC paid: $3,690
Awards: G29725260, G363686360, COMPUTATIONAL STUDIES OF NMR CHEMICAL SHIFTS IN OPEN-SHELL ACTINIDE AND LANTHANIDE SYSTEMS, TOWARDS AN UNDERSTANDING OF THE ENERGY-DRIVEN-COVALENCY CONCEPT: INVESTIGATION OF THE UNIQUE STRUCTURE, BONDING, AND REACTIVITY OF THORIUM, URANIUM, AND NEPTUNIUM COMPLEXES, G812591241
OpenAlex ID: W7154452201
