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Synthesis of heptanuclear Ni4Dy3 coordination aggregate using tridentate ligand: X-ray structure, magnetism and theoretical studies

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posted on 2021-09-20, 15:19 authored by A Bhanja, L Smythe, K Kotrle, F Ortu, R Herchel, M Murrie, D Ray
The Schiff base ligand, 2-(((2-hydroxybenzyl)imino)methyl)phenol (H2L) having ONO donor centres are utilized to synthesize {Ni4Dy3} coordination aggregate following the support of six benzoate bridging groups. Sequential addition of Dy(NO3)3·6H2O and NiCl2·6H2O to H2L followed by PhCO2Na completes the coordination driven aggregation of heptanuclear Na[Ni4Dy3(L)4(μ3-OH)4(μ1,1,3,3-PhCO2)2(μ1,3-PhCO2)4(CH3OH)4]∙CH2Cl2·9H2O (1) having 2,3,6M7 − 1 topology. Two adjacent perpendicular inverse Ni2Dy2 partial di-cubane units sharing a common vertex through the central DyIII ion resulted a new structural arrangement within the Ni − Dy family of coordination aggregates. The complex shows no slow magnetic relaxation under zero applied fields and only shows a very weak field dependent magnetization. The DFT calculations revealed weak ferromagnetic exchange between benzoato-bridged NiII ions, whereas the CASSCF calculations were used to identify magnetic anisotropy in NiII and DyIII ions resulting in low-lying excited states of DyIII ions with significant probability for the quantum tunneling of the magnetization, which rationalize the observed fast dynamics in the magnetic properties.

History

Citation

Inorganica Chimica Acta, Volume 526, 1 October 2021, 120524

Author affiliation

Department of Chemistry

Version

  • AM (Accepted Manuscript)

Published in

Inorganica Chimica Acta

Volume

526

Pagination

120524

Publisher

Elsevier

issn

0020-1693

Acceptance date

2021-07-07

Copyright date

2021

Available date

2022-07-12

Language

eng

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