Tetracoordinate Co(II) complexes with semi-coordination as stable single-ion magnets for deposition on graphene.

ABSTRACT: We present a theoretical and experimental study of two tetracoordinate Co(II)-based complexes with semi-coordination interactions, i.e., non-covalent interactions involving the central atom. We argue that such interactions enhance the thermal and structural stability of the compounds, making them appropriate for deposition on substrates, as demonstrated by their successful deposition on graphene. DC magnetometry and high-frequency electron spin resonance (HF-ESR) experiments revealed an axial magnetic anisotropy and weak intermolecular antiferromagnetic coupling in both compounds, supported by theoretical predictions from complete active space self-consistent field calculations complemented by N-electron valence state second-order perturbation theory (CASSCF-NEVPT2), and broken-symm

SUBMITTER: Giraldo JN 

PROVIDER: S-EPMC10631493 | biostudies-literature | 2023 Nov

REPOSITORIES: biostudies-literature