Publication detail

Hydroxido supported and differently networked octanuclear Ni(6)Ln(2) [Ln = Gd-III and Dy-III] complexes: structural variation, magnetic properties and theoretical insights

BHANJA, A. SMYTHE, L. HERCHEL, R. NEMEC, I. MURRIE, M. RAY, D.

Original Title

Hydroxido supported and differently networked octanuclear Ni(6)Ln(2) [Ln = Gd-III and Dy-III] complexes: structural variation, magnetic properties and theoretical insights

Type

journal article in Web of Science

Language

English

Original Abstract

The design and synthesis of a Schiff base H2L, (2-{[(2-hydroxy-3-methoxybenzyl)imino]methyl)phenol), bearing an ONOO donor set has been explored for its reactivity pattern with LnCl(3)center dot 6H(2)O (Ln = Gd-III and Dy-III) and Ni(CH3CO2)(2)center dot 4H(2)O in the presence of NEt3 for molecular aggregation. Coordination driven spontaneous self-assembly reactions provide (Gd2Ni6L4(mu(3)-OH)(6)(mu-OH)(2)(CH3CO2)(2)(mu-H2O)(2)(H2O)(3)(MeOH)]center dot 8H(2)O (1) having a 'butterfly-shaped' core and [Dy2Ni6L4(mu(3)-OH)(4)(mu-Cl)(2)Cl-4(H2O)(2)(MeOH)(2)]center dot 2MeOH center dot 4H(2)O (2) with a 'candy-shaped' core. Fusion of six partial cubane units led to a mineral-like core in 1, developed around the central Ni-2(OH)(2) moiety, whereas in the case of 2, four such partial cubanes collapsed on Dy-2(OH)(2). Direct-current (dc) magnetic susceptibility measurements revealed that predominant ferromagnetic interactions lead to a high-spin S = 13 ground state for 1. Complex 2 exhibits slow relaxation of magnetization under an applied small dc field with an energy barrier to reorientation of the magnetization, U-eff = 19.3 K. The static and dynamic magnetic data are analysed and corroborated by density functional theory (DFT) and detailed CASSCF based calculations.

Keywords

single-molecule magnet; magnetic anisotropy; structure

Authors

BHANJA, A.; SMYTHE, L.; HERCHEL, R.; NEMEC, I.; MURRIE, M.; RAY, D.

Released

10. 3. 2021

Publisher

ROYAL SOC CHEMISTRY

Location

CAMBRIDGE

ISBN

1477-9234

Periodical

Dalton Transactions

Year of study

50

Number

14

State

United Kingdom of Great Britain and Northern Ireland

Pages from

5023

Pages to

5035

Pages count

13

URL

https://pubs.rsc.org/en/content/articlelanding/2021/dt/d0dt04168h#!divAbstract

BibTex

@article{BUT171338,
  author="Avik {Bhanja} and Lucy {Smythe} and Radovan {Herchel} and Ivan {Nemec} and Mark {Murrie} and Debashis {Ray}",
  title="Hydroxido supported and differently networked octanuclear Ni(6)Ln(2) [Ln = Gd-III and Dy-III] complexes: structural variation, magnetic properties and theoretical insights",
  journal="Dalton Transactions",
  year="2021",
  volume="50",
  number="14",
  pages="5023--5035",
  doi="10.1039/d0dt04168h",
  issn="1477-9234",
  url="https://pubs.rsc.org/en/content/articlelanding/2021/dt/d0dt04168h#!divAbstract"
}