Control of magnetic anisotropy by macrocyclic ligand distortion in a family of DyIIIand ErIIIsingle molecule magnets

Yolimar Gil; Pablo Fuentealba; Andrés Vega; Evgenia Spodine; Daniel Aravena

doi:10.1039/d0dt03370g

Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy^IIIand Er^IIIsingle molecule magnets

Yolimar Gil, Pablo Fuentealba, Andrés Vega, Evgenia Spodine, Daniel Aravena

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16 Citations (Scopus)

Abstract

A family of hexaazamacrocyclic lanthanide complexes, [Ln(Ln)(NCS)3] (LnIII = Dy, Er; n = 1-3) has been synthesized and characterized by single-crystal X-ray diffraction, magnetic measurements and ab initio calculations. Macrocyclic ligands (Ln) differ in the lateral spacers, which are aliphatic chains with two and three carbons (for Ln, n = 1 and 2, respectively), and an aromatic ring for Ln = 3. Modification of the macrocycle spacer tunes planarity and rigidity of the equatorial coordination for both oblate (Dy) and prolate (Er) lanthanide ions. Ac-susceptibility studies showed that four of the six complexes are field induced single molecule magnets (SMMs). Trends in magnetic relaxation properties are rationalized with the aid of ab initio multireference calculations, highlighting the combined influence of macrocycle planarity, lanthanide electronic density distribution and intermolecular interactions for the achievement of slow demagnetization. This journal is

Original language	English
Pages (from-to)	17709-17718
Number of pages	10
Journal	Dalton Transactions
Volume	49
Issue number	48
DOIs	https://doi.org/10.1039/d0dt03370g
Publication status	Published - 28 Dec 2020

ASJC Scopus subject areas

Inorganic Chemistry

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title = "Control of magnetic anisotropy by macrocyclic ligand distortion in a family of DyIIIand ErIIIsingle molecule magnets",

abstract = "A family of hexaazamacrocyclic lanthanide complexes, [Ln(Ln)(NCS)3] (LnIII = Dy, Er; n = 1-3) has been synthesized and characterized by single-crystal X-ray diffraction, magnetic measurements and ab initio calculations. Macrocyclic ligands (Ln) differ in the lateral spacers, which are aliphatic chains with two and three carbons (for Ln, n = 1 and 2, respectively), and an aromatic ring for Ln = 3. Modification of the macrocycle spacer tunes planarity and rigidity of the equatorial coordination for both oblate (Dy) and prolate (Er) lanthanide ions. Ac-susceptibility studies showed that four of the six complexes are field induced single molecule magnets (SMMs). Trends in magnetic relaxation properties are rationalized with the aid of ab initio multireference calculations, highlighting the combined influence of macrocycle planarity, lanthanide electronic density distribution and intermolecular interactions for the achievement of slow demagnetization. This journal is ",

author = "Yolimar Gil and Pablo Fuentealba and Andr{\'e}s Vega and Evgenia Spodine and Daniel Aravena",

note = "Funding Information: D. A. and E. S. thank FONDECYT 1170524 Project for financial support. Y. G. thanks the National Agency for Research and Development (ANID) for the Doctoral Scholarship 21170520. Y. G., E. S. and A. V. are members of CEDENNA, Financiamiento Basal AFB 180001. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). Publisher Copyright: {\textcopyright} 2020 The Royal Society of Chemistry. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.",

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AU - Gil, Yolimar

AU - Fuentealba, Pablo

AU - Vega, Andrés

AU - Spodine, Evgenia

AU - Aravena, Daniel

N1 - Funding Information: D. A. and E. S. thank FONDECYT 1170524 Project for financial support. Y. G. thanks the National Agency for Research and Development (ANID) for the Doctoral Scholarship 21170520. Y. G., E. S. and A. V. are members of CEDENNA, Financiamiento Basal AFB 180001. Powered@NLHPC: This research was partially supported by the supercomputing infrastructure of the NLHPC (ECM-02). Publisher Copyright: © 2020 The Royal Society of Chemistry. Copyright: Copyright 2020 Elsevier B.V., All rights reserved.

PY - 2020/12/28

Y1 - 2020/12/28

N2 - A family of hexaazamacrocyclic lanthanide complexes, [Ln(Ln)(NCS)3] (LnIII = Dy, Er; n = 1-3) has been synthesized and characterized by single-crystal X-ray diffraction, magnetic measurements and ab initio calculations. Macrocyclic ligands (Ln) differ in the lateral spacers, which are aliphatic chains with two and three carbons (for Ln, n = 1 and 2, respectively), and an aromatic ring for Ln = 3. Modification of the macrocycle spacer tunes planarity and rigidity of the equatorial coordination for both oblate (Dy) and prolate (Er) lanthanide ions. Ac-susceptibility studies showed that four of the six complexes are field induced single molecule magnets (SMMs). Trends in magnetic relaxation properties are rationalized with the aid of ab initio multireference calculations, highlighting the combined influence of macrocycle planarity, lanthanide electronic density distribution and intermolecular interactions for the achievement of slow demagnetization. This journal is

AB - A family of hexaazamacrocyclic lanthanide complexes, [Ln(Ln)(NCS)3] (LnIII = Dy, Er; n = 1-3) has been synthesized and characterized by single-crystal X-ray diffraction, magnetic measurements and ab initio calculations. Macrocyclic ligands (Ln) differ in the lateral spacers, which are aliphatic chains with two and three carbons (for Ln, n = 1 and 2, respectively), and an aromatic ring for Ln = 3. Modification of the macrocycle spacer tunes planarity and rigidity of the equatorial coordination for both oblate (Dy) and prolate (Er) lanthanide ions. Ac-susceptibility studies showed that four of the six complexes are field induced single molecule magnets (SMMs). Trends in magnetic relaxation properties are rationalized with the aid of ab initio multireference calculations, highlighting the combined influence of macrocycle planarity, lanthanide electronic density distribution and intermolecular interactions for the achievement of slow demagnetization. This journal is

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Control of magnetic anisotropy by macrocyclic ligand distortion in a family of Dy^IIIand Er^IIIsingle molecule magnets

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