The central aim is to understand how hyperfine NMR shifts provide insights into spin distribution in coordination compounds.
Analyzed hyperfine NMR shifts of ligand atoms
Investigated open-shell coordination compounds
Examined the relationship between spin distribution and ligand position
Revealed distinct hyperfine shifts corresponding to different ligand configurations
Demonstrated variation in spin distribution around the central metal atom
Provided new understanding of coordination isomerism through NMR data
Abstract
The hyperfine (Curie) NMR shifts of ligand atoms in the open-shell coordination compound report subtle details of the spin distribution around the central metal atom. In this work, we propose...