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

Langley, SK, Vignesh, KR, Gupta, T, Gartshore, CJ, Rajaraman, G, Forsyth, CM and Murray, KS (2019) New examples of triangular terbium(iii) and holmium(iii) and hexagonal dysprosium(iii) single molecule toroics. Dalton Transactions, 48 (41). pp. 15657-15667. ISSN 1477-9226

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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.