New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics

Abstract

© 2019 The Royal Society of Chemistry. The structural, magnetic and theoretical aspects are described for three triangular lanthanide complexes, [TbIII3(OH)(teaH2)3(paa)3]Cl2 (1), [DyIII3(OH)(teaH2)3(paa)3]Cl2 (2) and [HoIII3(OH)(teaH2)3(paa)3]Cl2 (3), and a hexanuclear wheel of formula [DyIII6(pdeaH)6(NO3)6] (4) [teaH3 = triethanolamine, paaH = N-(2-pyridyl)-acetoacetamide and pdeaH3 = 3-[bis(2-hydroxyethyl)amino]propan-1-ol]. Each complex displays single molecule toroidal behaviour as rationalised using high-level ab initio calculations. Complexes 2 and 3 are the first examples of mixed moment single molecule toroidal complexes featuring non-Kramers ions