期刊
POLYHEDRON
卷 170, 期 -, 页码 508-514出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.poly.2019.05.061
关键词
Mixed lanthanide-manganese(III) ions; Ferromagnetic exchange; DFT; Tetranuclear; {3d-4f} complexes; {Mn2Gd2} complexes
资金
- IIT Bombay
- SERB, India [CRG/2018/000430]
- Australian Research Council, Australia [DP170100034]
- MMU
Three tetranuclear {Mn(2)(III)Ln(2)(III)} 'butterfly' complexes with common Mn-2(III) mu 3 -alkoxo bridging motifs surrounded by two Ln(III) ions (Ln = Gd, La or Y) have been studied by structural, magnetic and density functional theoretical calculations. The exchange coupling constant between the body-body Mn(III) ions is ferromagnetic in all cases, the La and Y examples being diamagnetic at the wing-wing positions. The wing-body J(wb) (Mn Gd) interaction is small and negative. Reasons are given for these J(MnMn) values, including the effects of the terminal Ln(III) ions, comparison toanalogous Mn-2 dinuclears, and the effects of spin polarisation. (C) 2019 Elsevier Ltd. All rights reserved.
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