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

Article abstract of DOI:10.1039/c9dt02419k

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.

Full text of DOI:10.1039/c9dt02419k

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Langley, G. Rajaraman, K. Vignesh, C. Gartshore, T. Gupta and C. M. Forsyth, Dalton Trans., 2019, DOI:
10.1039/C9DT02419K.
Volume 46
Number 10
14 March 2017
Pages 3073-3412
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N-Heterocyclic carbene stabilized parent sulfenyl, selenenyl,
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Dalton Transactions
Page 8 of 12
View Article Online
DOI: 10.1039/C9DT02419K

Page 9 of 12
Dalton Transactions
View Article Online
DOI: 10.1039/C9DT02419K

B/1.(1 C* -*5 .C)+(5 7.,D'-(
Dalton Transactions
Page 10 of 12
View Article Online
DOI: 10.1039/C9DT02419K
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B/1.(1 C* -*5 .C)+(5 7.,D'-(
Dalton Transactions
Page 11 of 12
View Article Online
DOI: 10.1039/C9DT02419K
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B/1.(1 C* -*5 .C)+(5 7.,D'-(

Dalton Transactions
Page 12 of 12
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Graphical abstract
DOI: 10.1039/C9DT02419K
The synthesis, structures, magnetism and ab initio calculations are presented for three new
triangular Ln3 single molecule toroidal species, Ln = Tb, Dy and Ho, and for a new hexagonal
Dy6 wheel compound. Comparisons are made to earlier such triangular and hexagonal
species.