Construction of intermolecular σ-hole interactions in rare earth metallocene complexes using a 2,3,4,5-tetraiodopyrrolyl anion.

ABSTRACT: The generation of noncovalent intermolecular interactions represents a powerful method to control molecular vibrations and rotations. Combining these with the axial ligand field enforced by the metallocene ligand scaffold provides a dual-pronged approach in controlling the magnetic-relaxation pathways for dysprosium-based single-molecule magnets (SMMs). Here, we present the first implementation of 2,3,4,5-tetraiodopyrrole (TIPH) in its anionic form [TIP]^- as a ligand in three isostructural rare-earth metal complexes Cp*₂RE(TIP) (1-RE, RE = Y, Gd, and Dy; Cp* = pentamethylcylopentadienyl), where the TIP ligand binds through the nitrogen and one iodine atom κ²(N,I) to the metal centre. The shallow potential energy surface of the intermolecular σ-hole interact

SUBMITTER: Delano F 

PROVIDER: S-EPMC11339973 | biostudies-literature | 2024 Aug

REPOSITORIES: biostudies-literature