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Issue 10, 2016
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Structure, luminescence and magnetic properties of an erbium(iii) β-diketonate homodinuclear complex†

P. Martín-Ramos, ORCID logo ab   L. C. J. Pereira,*c   J. T. Coutinho,c   F. Koprowiak,d   H. Bolvin,d   V. Lavín,e   I. R. Martín,e   J. Martín-Gil ORCID logo f  and  M. Ramos Silva*b  
Author affiliations

* Corresponding authors

a EPSH, Universidad de Zaragoza, Carretera de Cuarte s/n, Huesca, Spain

b CFisUC, Department of Physics, Universidade de Coimbra, Rua Larga, P-3004-516 Coimbra, Portugal
E-mail: manuela@pollux.fis.uc.pt
Fax: +351 239 829158
Tel: +351 239 410648

c C2TN, DECN, Instituto Superior Técnico, Universidade de Lisboa, 2695-066 Bobadela LRS, Portugal

d Laboratoire de Chimie et Physique Quantiques, Université Toulouse III, 118 route de Narbonne, 31062 Toulouse, France

e Departamento de Física and MALTA Consolider Team, Universidad de La Laguna, E-38206 San Cristóbal de La Laguna, Santa Cruz de Tenerife, Spain

f Advanced Materials Laboratory, ETSIIAA, Universidad de Valladolid, Avenida de Madrid 44, Palencia, Spain

Abstract

The photoluminescence properties and field-induced single-molecule-magnetic behavior of a novel erbium(III) β-diketonate homodinuclear complex, [Er2(nd)6(μ-bpm)] (nd = 2,4-nonanedione and bpm = 2,2′-bipyrimidine), are presented. On the basis of structural data, ab initio calculations using the SO-CASSCF method have been performed so as to gain insight into the spin-relaxation mechanism, giving evidence of the nature of the mJ ground state and the orientation of the related magnetic anisotropy axis. The overlap integrals between the natural spin orbitals (NSOs) of the mononuclear fragments, related to the magnitude of the antiferromagnetic exchange, show that the two fragments have no magnetic interaction.

Graphical abstract: Structure, luminescence and magnetic properties of an erbium(iii) β-diketonate homodinuclear complex

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Article information

https://doi.org/10.1039/C6NJ01598K
Submitted
19 May 2016
Accepted
04 Aug 2016
First published
05 Aug 2016
New J. Chem., 2016,40, 8251-8261
Article type
Paper
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Structure, luminescence and magnetic properties of an erbium(III) β-diketonate homodinuclear complex

P. Martín-Ramos, L. C. J. Pereira, J. T. Coutinho, F. Koprowiak, H. Bolvin, V. Lavín, I. R. Martín, J. Martín-Gil and M. R. Silva, New J. Chem., 2016, 40, 8251
DOI: 10.1039/C6NJ01598K

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