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

Stuart K Langley; Kuduva R Vignesh; Tulika Gupta; Christopher J Gartshore; Gopalan Rajaraman; Craig M Forsyth; Keith S Murray

doi:10.1039/c9dt02419k

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

Dalton Trans. 2019 Nov 7;48(41):15657-15667. doi: 10.1039/c9dt02419k. Epub 2019 Sep 4.

Authors

Stuart K Langley¹, Kuduva R Vignesh², Tulika Gupta², Christopher J Gartshore³, Gopalan Rajaraman², Craig M Forsyth³, Keith S Murray³

Affiliations

¹ School of science and the environment, Division of Chemistry, Manchester Metropolitan University, Manchester, M15 6BH, UK. s.langley@mmu.ac.uk.
² Department of Chemistry, Indian Institute of Technology Bombay, Mumbai-400076, India. rajaraman@chem.iitb.ac.in.
³ School of Chemistry, Monash University, Clayton, Victoria 3800, Australia. keith.murray@monash.edu.

PMID: 31482898
DOI: 10.1039/c9dt02419k

Abstract

The structural, magnetic and theoretical aspects are described for three triangular lanthanide complexes, [Tb(OH)(teaH₂)₃(paa)₃]Cl₂ (1), [Dy(OH)(teaH₂)₃(paa)₃]Cl₂ (2) and [Ho(OH)(teaH₂)₃(paa)₃]Cl₂ (3), and a hexanuclear wheel of formula [Dy(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.