The effect of the second coordination sphere on the magnetism of [Ln(NO₃)₃(H₂O)₃]·(18-crown-6) (Ln = Dy and Er).

ABSTRACT: The objective of this work was the exploration of the effect of the second coordination sphere on the magnetic properties of [Ln(NO₃)₃(H₂O)₃]·(18C6) (Ln = Dy (1) and Er (2)) compounds comprising co-crystallized 18-crown-6 ethers. Both compounds were identified as field-induced single molecule magnets (SMMs) with estimated magnetization reversal barriers U _eff = 66-71 K for 1 and U _eff = 21-24 K for 2. Theoretical calculations with the B3LYP functional revealed substantial change and redistribution of the electrostatic potential upon accounting for the second coordination sphere represented by two 18C6 molecules, which resulted in the change of the crystal-field around metal atoms. As a result, the multireferenc

SUBMITTER: Herchel R 

PROVIDER: S-EPMC9059281 | biostudies-literature | 2018 Dec

REPOSITORIES: biostudies-literature