Crystal and Substituent Effects on Paramagnetic NMR Shifts in Transition-Metal Complexes.

ABSTRACT: Nuclear magnetic resonance (NMR) spectroscopy of paramagnetic molecules provides detailed information about their molecular and electron-spin structure. The paramagnetic NMR spectrum is a very rich source of information about the hyperfine interaction between the atomic nuclei and the unpaired electron density. The Fermi-contact contribution to ligand hyperfine NMR shifts is particularly informative about the nature of the metal-ligand bonding and the structural arrangements of the ligands coordinated to the metal center. In this account, we provide a detailed experimental and theoretical NMR study of compounds of Cr(III) and Cu(II) coordinated with substituted acetylacetonate (acac) ligands in the solid state. For the first time, we report the experimental observation of extremely paramag

SUBMITTER: Novotny J 

PROVIDER: S-EPMC9597657 | biostudies-literature | 2021 Jul

REPOSITORIES: biostudies-literature