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Magnetic Anisotropy in “Scorpionate” First‐Row Transition‐Metal Complexes: A Theoretical Investigation

Overview of attention for article published in Chemistry - A European Journal, January 2015
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Title
Magnetic Anisotropy in “Scorpionate” First‐Row Transition‐Metal Complexes: A Theoretical Investigation
Published in
Chemistry - A European Journal, January 2015
DOI 10.1002/chem.201405480
Pubmed ID
Authors

Marko Perić, Amador García‐Fuente, Matija Zlatar, Claude Daul, Stepan Stepanović, Pablo García‐Fernández, Maja Gruden‐Pavlović

Abstract

In this work we have analyzed in detail the magnetic anisotropy in a series of hydrotris(pyrazolyl)borate (Tp(-) ) metal complexes, namely [VTpCl](+) , [CrTpCl](+) , [MnTpCl](+) , [FeTpCl], [CoTpCl], and [NiTpCl], and their substituted methyl and tert-butyl analogues with the goal of observing the effect of the ligand field on the magnetic properties. In the [VTpCl](+) , [CrTpCl](+) , [CoTpCl], and [NiTpCl] complexes, the magnetic anisotropy arises as a consequence of out-of-state spin-orbit coupling, and covalent changes induced by the substitution of hydrogen atoms on the pyrazolyl rings does not lead to drastic changes in the magnetic anisotropy. On the other hand, much larger magnetic anisotropies were predicted in complexes displaying a degenerate ground state, namely [MnTpCl](+) and [FeTpCl], due to in-state spin-orbit coupling. The anisotropy in these systems was shown to be very sensitive to perturbations, for example, chemical substitution and distortions due to the Jahn-Teller effect. We found that by substituting the hydrogen atoms in [MnTpCl](+) and [FeTpCl] by methyl and tert-butyl groups, certain covalent contributions to the magnetic anisotropy energy (MAE) could be controlled, thereby achieving higher values. Moreover, we showed that the selection of ion has important consequences for the symmetry of the ground spin-orbit term, opening the possibility of achieving zero magnetic tunneling even in non-Kramers ions. We have also shown that substitution may also contribute to a quenching of the Jahn-Teller effect, which could significantly reduce the magnetic anisotropy of the complexes studied.

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Geographical breakdown

Country Count As %
Unknown 24 100%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 6 25%
Researcher 5 21%
Student > Doctoral Student 2 8%
Lecturer > Senior Lecturer 2 8%
Lecturer 1 4%
Other 1 4%
Unknown 7 29%
Readers by discipline Count As %
Chemistry 12 50%
Physics and Astronomy 3 13%
Chemical Engineering 1 4%
Computer Science 1 4%
Unknown 7 29%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 16 January 2015.
All research outputs
#20,039,697
of 24,629,540 outputs
Outputs from Chemistry - A European Journal
#17,064
of 22,968 outputs
Outputs of similar age
#288,223
of 390,392 outputs
Outputs of similar age from Chemistry - A European Journal
#146
of 227 outputs
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So far Altmetric has tracked 22,968 research outputs from this source. They receive a mean Attention Score of 3.9. This one is in the 18th percentile – i.e., 18% of its peers scored the same or lower than it.
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We're also able to compare this research output to 227 others from the same source and published within six weeks on either side of this one. This one is in the 23rd percentile – i.e., 23% of its contemporaries scored the same or lower than it.