Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2]

Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2]

Direct current (dc) and alternating current (ac) magnetic measurements have been performed on the three Ni­(I) complexes: [NiCl­(PPh3)3], [NiCl­(PPh3)2]·C4H8O, and [Ni­(N­(SiMe3)2)­(PPh3)2]. Fits of the dc magnetic data suggest an almost similar behavior of the three compounds, which display only mo...

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Veröffentlicht in:Inorganic chemistry 2016-03, Vol.55 (5), p.2091-2100
Hauptverfasser: Lin, Weiquan, Bodenstein, Tilmann, Mereacre, Valeriu, Fink, Karin, Eichhöfer, Andreas
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container_issue 5
container_start_page 2091
container_title Inorganic chemistry
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creator Lin, Weiquan
Bodenstein, Tilmann
Mereacre, Valeriu
Fink, Karin
Eichhöfer, Andreas
description Direct current (dc) and alternating current (ac) magnetic measurements have been performed on the three Ni­(I) complexes: [NiCl­(PPh3)3], [NiCl­(PPh3)2]·C4H8O, and [Ni­(N­(SiMe3)2)­(PPh3)2]. Fits of the dc magnetic data suggest an almost similar behavior of the three compounds, which display only moderate deviations from the spin-only values. The ac magnetic investigations reveal that the two complexes with trigonal planar coordination[NiCl­(PPh3)2]·C4H8O and [Ni­(N­(SiMe3)2)­(PPh3)2]display slow magnetic relaxation at low temperatures under applied dc fields, whereas tetrahedral [NiCl­(PPh3)3] does not. Ground and excited states as well as magnetic data were calculated by ab initio wave function based multi-configurational methods, including dynamic correlation as well as spin–orbit coupling. The two trigonal planar complexes comprise well-isolated S = 1/2 ground states, whereas two S = 1/2 states with a splitting of less than 100 cm–1 were found in the tetrahedral compound.
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Fits of the dc magnetic data suggest an almost similar behavior of the three compounds, which display only moderate deviations from the spin-only values. The ac magnetic investigations reveal that the two complexes with trigonal planar coordination[NiCl­(PPh3)2]·C4H8O and [Ni­(N­(SiMe3)2)­(PPh3)2]display slow magnetic relaxation at low temperatures under applied dc fields, whereas tetrahedral [NiCl­(PPh3)3] does not. Ground and excited states as well as magnetic data were calculated by ab initio wave function based multi-configurational methods, including dynamic correlation as well as spin–orbit coupling. 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title Field-Induced Slow Magnetic Relaxation in the Ni(I) Complexes [NiCl(PPh3)2]·C4H8O and [Ni(N(SiMe3)2)(PPh3)2]
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