In:
Dalton Transactions, Royal Society of Chemistry (RSC), Vol. 52, No. 30 ( 2023), p. 10465-10471
Abstract:
Synthesis of air-stable and high-performance single-molecule magnets (SMMs) is challenging. Here, a heptadentate pentapyridyldiamine (BPA-TPA) ligand and fine-tuned axial phenoxy ligands are used to synthesize two triangular dodecahedral Dy( iii ) complexes [Dy(BPA-TPA)(4-methoxy-PhO)](BPh 4 ) 2 ·3CH 2 Cl 2 (4) and [Dy(BPA-TPA)(2,4-dimethyl-PhO)](BPh 4 ) 2 ·0.85CH 2 Cl 2 (5). Both complexes have high effective barriers exceeding 400 K and magnetic hysteresis up to 8 K, which is ascribed to one strong and short Dy–O bond combined with seven weak Dy–N bonds. Ab initio calculations reveal the thermally activated quantum tunneling of magnetization through the first excited Kramers doublet, due to the presence of a strong axial Dy–O crystal ligand. Substitution of the phenoxy ligand leads to more constrained vibrations, improving the magnetic hysteresis behavior for 5.
Type of Medium:
Online Resource
ISSN:
1477-9226
,
1477-9234
Language:
English
Publisher:
Royal Society of Chemistry (RSC)
Publication Date:
2023
detail.hit.zdb_id:
1472887-4
