Crystal structure and cryomagnetic study of a mononuclear erbium(III) oxamate inclusion complex

Acta Crystallogr C Struct Chem. 2024 Aug 1;80(Pt 8):349-356. doi: 10.1107/S2053229624005977. Epub 2024 Jul 10.

Abstract

The synthesis, crystal structure and magnetic properties of an oxamate-containing erbium(III) complex, namely, tetrabutylammonium aqua[N-(2,4,6-trimethylphenyl)oxamato]erbium(III)-dimethyl sulfoxide-water (1/3/1.5), (C16H36N)[Er(C11H12NO3)4(H2O)]·3C2H6OS·1.5H2O or n-Bu4N[Er(Htmpa)4(H2O)]·3DMSO·1.5H2O (1), are reported. The crystal structure of 1 reveals the occurrence of an erbium(III) ion, which is surrounded by four N-phenyl-substituted oxamate ligands and one water molecule in a nine-coordinated environment, together with one tetrabutylammonium cation acting as a counter-ion, and one water and three dimethyl sulfoxide (DMSO) molecules of crystallization. Variable-temperature static (dc) and dynamic (ac) magnetic measurements were carried out for this mononuclear complex, revealing that it behaves as a field-induced single-ion magnet (SIM) below 5.0 K.

Keywords: SIM; cryomagnetic; crystal structure; erbium(III); magnetic properties; oxamate; single-ion magnet; spin qubit candidate.