Jump to main content
Jump to site search
Access to RSC content Close the message box

Continue to access RSC content when you are not at your institution. Follow our step-by-step guide.


Issue 52, 2018, Issue in Progress
Previous Article Next Article

Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (–Cl/–OCH3)

Author affiliations

Abstract

Two Dy(III) single-ion magnets, formulated as [Dy(Phen)(Cl-tcpb)3] (Cl-1) and [Dy(Phen)(CH3O-tmpd)3] (CH3O-2) were obtained through β-diketonate ligands (Cl-tcpb = 1-(4-chlorophenyl)-4,4,4-trifluoro-1,3-butanedione and CH3O-tmpd = 4,4,4-trifluoro-1-(4-methoxyphenyl)-1,3-butanedione) with different substituent groups (–Cl/–OCH3) and auxiliary ligand, 1,10-phenanthroline (Phen). The Dy(III) ions in Cl-1 and CH3O-2 are eight-coordinate, with an approximately square antiprismatic (SAP, D4d) and trigonal dodecahedron (D2d) N2O6 coordination environment, respectively, in the first coordination sphere. Under zero direct-current (dc) field, magnetic investigations demonstrate that both Cl-1 and CH3O-2 display dynamic magnetic relaxation of single-molecule magnet (SMM) behavior with different effective barriers (Ueff) of 105.4 cm−1 (151.1 K) for Cl-1 and 132.5 cm−1 (190.7 K) for CH3O-2, respectively. As noted, compound CH3O-2 possesses a higher effective barrier than Cl-1. From ab initio calculations, the energies of the first excited state (KD1) are indeed close to the experimental Ueff as 126.7 cm−1 vs. 105.4 cm−1 for Cl-1 and 152.8 cm−1 vs. 132.5 cm−1 for CH3O-2. The order of the calculated energies of KD1 is same as that of the experimental Ueff. The superior SIM properties of CH3O-2 could have originated from the larger axial electrostatic potential (ESP(ax)) felt by the central Dy(III) ion when compared with Cl-1. The larger ESP(ax) of CH3O-2 arises from synergic effects of the more negative charge and shorter Dy–O distances of the axial O atoms of the first sphere. These charges and distances could be influenced by functional groups outside the first sphere, e.g., –Cl and –OCH3.

Graphical abstract: Experimental and theoretical interpretation of the magnetic behavior of two Dy(iii) single-ion magnets constructed through β-diketonate ligands with different substituent groups (–Cl/–OCH3)

Back to tab navigation

Supplementary files

Article information


Submitted
23 Jul 2018
Accepted
06 Aug 2018
First published
20 Aug 2018

This article is Open Access

RSC Adv., 2018,8, 29513-29525
Article type
Paper

Experimental and theoretical interpretation of the magnetic behavior of two Dy(III) single-ion magnets constructed through β-diketonate ligands with different substituent groups (–Cl/–OCH3)

S. Zhang, W. Mo, J. Zhang, H. Wu, M. Li, X. Lü, B. Yin and D. Yang, RSC Adv., 2018, 8, 29513
DOI: 10.1039/C8RA06240D

This article is licensed under a Creative Commons Attribution 3.0 Unported Licence. Material from this article can be used in other publications provided that the correct acknowledgement is given with the reproduced material.

Reproduced material should be attributed as follows:

  • For reproduction of material from NJC:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the Centre National de la Recherche Scientifique (CNRS) and the RSC.
  • For reproduction of material from PCCP:
    [Original citation] - Published by the PCCP Owner Societies.
  • For reproduction of material from PPS:
    [Original citation] - Published by The Royal Society of Chemistry (RSC) on behalf of the European Society for Photobiology, the European Photochemistry Association, and RSC.
  • For reproduction of material from all other RSC journals:
    [Original citation] - Published by The Royal Society of Chemistry.

Information about reproducing material from RSC articles with different licences is available on our Permission Requests page.


Social activity

Search articles by author

Spotlight

Advertisements