Topic
Lanthanide
About: Lanthanide is a research topic. Over the lifetime, 15924 publications have been published within this topic receiving 402161 citations. The topic is also known as: rare earths & lanthanide series.
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TL;DR: In this paper, a set of lanthanide pseudopotentials of the Stuttgart-Bonn variety has been supplemented by corresponding potentials for lanthanum and lutetium in order to arrive at a set analogous to the one available for the actinides.
Abstract: Gaussian (14s13p10d8f6g)/[6s6p5d4f3g] atomic natural orbital valence basis sets have been derived for relativistic energy-consistent small-core lanthanide pseudopotentials of the Stuttgart–Bonn variety. The existing set of lanthanide pseudopotentials has been supplemented by corresponding potentials for lanthanum and lutetium in order to arrive at a set analogous to the one available for the actinides. Multiconfiguration self-consistent field and subsequent multireference averaged coupled-pair functional calculations are presented for the first to fourth ionization potentials of all lanthanide elements. Molecular calibration studies using the coupled-cluster singles, doubles, and perturbative triples approach are reported for the monohydrides, monoxides, and monofluorides of lanthanum and lutetium.
1,009 citations
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TL;DR: It is shown that the diffuse spin of an N(2)(3-) radical bridge can lead to exceptionally strong magnetic exchange in dinuclear Ln(III) (Ln = Gd, Dy) complexes, exhibiting the strongest magnetic coupling yet observed for that ion.
Abstract: Single-molecule magnets approach the ultimate size limit for spin-based devices. These complexes can retain spin information over long periods of time at low temperature, suggesting possible applications in high-density information storage, quantum computing and spintronics. Notably, the success of most such applications hinges upon raising the inherent molecular spin-inversion barrier. Although recent advances have shown the viability of lanthanide-containing complexes in generating large barriers, weak or non-existent magnetic exchange coupling allows fast relaxation pathways that mitigate the full potential of these species. Here, we show that the diffuse spin of an N(2)(3-) radical bridge can lead to exceptionally strong magnetic exchange in dinuclear Ln(III) (Ln = Gd, Dy) complexes. The Gd(III) congener exhibits the strongest magnetic coupling yet observed for that ion, while incorporation of the high-anisotropy Dy(III) ion gives rise to a molecule with a record magnetic blocking temperature of 8.3 K at a sweep rate of 0.08 T s(-1).
924 citations
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897 citations
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TL;DR: In this paper, the authors present a re-analysis of the FD-excitation, absorption, reflection, and emission spectra of Eu2+ in inorganic compounds.
882 citations
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TL;DR: The literature on 4f n ↔4f n −1 5d transitions of the trivalent lanthanides in inorganic compounds has been collected as mentioned in this paper from critically analyzing fd-excitation, absorption, reflection and df-emission spectra, values for the spectroscopic red shift of 5d levels and the stokes shift were determined.
853 citations