Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants

Research output: Contribution to journalJournal articleResearchpeer-review

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Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants. / Pedersen, Kasper Steen; Lorusso, Giulia; Morales, Juan José; Weyhermüller, Thomas; Piligkos, Stergios; Singh, Saurabh Kumar; Larsen, Dennis; Schau-Magnussen, Magnus; Rajaraman, Gopalan; Evangelisti, Marco; Bendix, Jesper.

In: Angewandte Chemie - International Edition, Vol. 53, No. 9, 2014, p. 2394-2397.

Research output: Contribution to journalJournal articleResearchpeer-review

Harvard

Pedersen, KS, Lorusso, G, Morales, JJ, Weyhermüller, T, Piligkos, S, Singh, SK, Larsen, D, Schau-Magnussen, M, Rajaraman, G, Evangelisti, M & Bendix, J 2014, 'Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants', Angewandte Chemie - International Edition, vol. 53, no. 9, pp. 2394-2397. https://doi.org/10.1002/anie.201308240

APA

Pedersen, K. S., Lorusso, G., Morales, J. J., Weyhermüller, T., Piligkos, S., Singh, S. K., ... Bendix, J. (2014). Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants. Angewandte Chemie - International Edition, 53(9), 2394-2397. https://doi.org/10.1002/anie.201308240

Vancouver

Pedersen KS, Lorusso G, Morales JJ, Weyhermüller T, Piligkos S, Singh SK et al. Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants. Angewandte Chemie - International Edition. 2014;53(9):2394-2397. https://doi.org/10.1002/anie.201308240

Author

Pedersen, Kasper Steen ; Lorusso, Giulia ; Morales, Juan José ; Weyhermüller, Thomas ; Piligkos, Stergios ; Singh, Saurabh Kumar ; Larsen, Dennis ; Schau-Magnussen, Magnus ; Rajaraman, Gopalan ; Evangelisti, Marco ; Bendix, Jesper. / Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants. In: Angewandte Chemie - International Edition. 2014 ; Vol. 53, No. 9. pp. 2394-2397.

Bibtex

@article{2fd8952343764f5aab3ab4512c0a50f3,
title = "Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants",
abstract = "The reaction of fac-[MIIIF3(Me3tacn)] ×x H2O with Gd(NO3)3×5H 2O affords a series of fluoride-bridged, trigonal bipyramidal {GdIII3MIII2} (M=Cr (1), Fe (2), Ga (3)) complexes without signs of concomitant GdF3 formation, thereby demonstrating the applicability even of labile fluoride-complexes as precursors for 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight ligand sphere, gives rise to large magnetic entropy changes of 38.3 J kg-1 K-1 (1) and 33.1 J kg-1 K-1 (2) for the field change 7 T→0 T. Interestingly, the entropy change, and the magnetocaloric effect, are smaller in 2 than in 1 despite the larger spin ground state of the former secured by intramolecular Fe-Gd ferromagnetic interactions. This observation underlines the necessity of controlling not only the ground state but also close-lying excited states for successful design of molecular refrigerants. Molecular coolers: Even labile fluoride complexes (see picture; Gd purple, Cr/Fe/Ga orange, F green, O red) are useful precursors for polynuclear, fluoride-bridged 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight auxiliary ligand sphere, gives rise to extremely large magnetic entropy changes.",
keywords = "density functional calculations, fluoride ligands, lanthanides, magnetic properties, magnetic refrigeration",
author = "Pedersen, {Kasper Steen} and Giulia Lorusso and Morales, {Juan Jos{\'e}} and Thomas Weyherm{\"u}ller and Stergios Piligkos and Singh, {Saurabh Kumar} and Dennis Larsen and Magnus Schau-Magnussen and Gopalan Rajaraman and Marco Evangelisti and Jesper Bendix",
year = "2014",
doi = "10.1002/anie.201308240",
language = "English",
volume = "53",
pages = "2394--2397",
journal = "Angewandte Chemie International Edition",
issn = "1433-7851",
publisher = "Wiley-VCH Verlag GmbH & Co. KGaA",
number = "9",

}

RIS

TY - JOUR

T1 - Fluoride-bridged {GdIII3MIII2} (M=Cr, Fe, Ga) molecular magnetic refrigerants

AU - Pedersen, Kasper Steen

AU - Lorusso, Giulia

AU - Morales, Juan José

AU - Weyhermüller, Thomas

AU - Piligkos, Stergios

AU - Singh, Saurabh Kumar

AU - Larsen, Dennis

AU - Schau-Magnussen, Magnus

AU - Rajaraman, Gopalan

AU - Evangelisti, Marco

AU - Bendix, Jesper

PY - 2014

Y1 - 2014

N2 - The reaction of fac-[MIIIF3(Me3tacn)] ×x H2O with Gd(NO3)3×5H 2O affords a series of fluoride-bridged, trigonal bipyramidal {GdIII3MIII2} (M=Cr (1), Fe (2), Ga (3)) complexes without signs of concomitant GdF3 formation, thereby demonstrating the applicability even of labile fluoride-complexes as precursors for 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight ligand sphere, gives rise to large magnetic entropy changes of 38.3 J kg-1 K-1 (1) and 33.1 J kg-1 K-1 (2) for the field change 7 T→0 T. Interestingly, the entropy change, and the magnetocaloric effect, are smaller in 2 than in 1 despite the larger spin ground state of the former secured by intramolecular Fe-Gd ferromagnetic interactions. This observation underlines the necessity of controlling not only the ground state but also close-lying excited states for successful design of molecular refrigerants. Molecular coolers: Even labile fluoride complexes (see picture; Gd purple, Cr/Fe/Ga orange, F green, O red) are useful precursors for polynuclear, fluoride-bridged 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight auxiliary ligand sphere, gives rise to extremely large magnetic entropy changes.

AB - The reaction of fac-[MIIIF3(Me3tacn)] ×x H2O with Gd(NO3)3×5H 2O affords a series of fluoride-bridged, trigonal bipyramidal {GdIII3MIII2} (M=Cr (1), Fe (2), Ga (3)) complexes without signs of concomitant GdF3 formation, thereby demonstrating the applicability even of labile fluoride-complexes as precursors for 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight ligand sphere, gives rise to large magnetic entropy changes of 38.3 J kg-1 K-1 (1) and 33.1 J kg-1 K-1 (2) for the field change 7 T→0 T. Interestingly, the entropy change, and the magnetocaloric effect, are smaller in 2 than in 1 despite the larger spin ground state of the former secured by intramolecular Fe-Gd ferromagnetic interactions. This observation underlines the necessity of controlling not only the ground state but also close-lying excited states for successful design of molecular refrigerants. Molecular coolers: Even labile fluoride complexes (see picture; Gd purple, Cr/Fe/Ga orange, F green, O red) are useful precursors for polynuclear, fluoride-bridged 3d-4f systems. Molecular geometry enforces weak exchange interactions, which is rationalized computationally. This, in conjunction with a lightweight auxiliary ligand sphere, gives rise to extremely large magnetic entropy changes.

KW - density functional calculations

KW - fluoride ligands

KW - lanthanides

KW - magnetic properties

KW - magnetic refrigeration

U2 - 10.1002/anie.201308240

DO - 10.1002/anie.201308240

M3 - Journal article

AN - SCOPUS:84894435310

VL - 53

SP - 2394

EP - 2397

JO - Angewandte Chemie International Edition

JF - Angewandte Chemie International Edition

SN - 1433-7851

IS - 9

ER -

ID: 130945181