2021
DOI: 10.1039/d0ce01662d
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Magnetic relaxation in a Co(ii) chain complex: synthesis, structure, and DFT computational coupling constant

Abstract: We report a homospin non-solvated CoII chain compound constructed by two similar tridentate ligands and chloride ions, which displays slow magnetic relaxation below 5 K.

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Cited by 3 publications
(5 citation statements)
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“…In this last figure, we can observe such staggered behavior for distinct odd and even chain longitudes. J L,P do not present differences; however, J A displays two groups of chains that yield two different plateaus in at least one region of field, i.e., N m = (6,10,11) and N m = (7,8,9,12). What those chains have in common when tracking their partition points (caption in Figure 10) is that the first group is cutting the chain in different points between spins S (1,i) and S (2,i) of a molecule with a "perpendicular-like" (S (2,j) in the intermolecular coupling) topology.…”
Section: Beyond Two Smmsmentioning
confidence: 88%
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“…In this last figure, we can observe such staggered behavior for distinct odd and even chain longitudes. J L,P do not present differences; however, J A displays two groups of chains that yield two different plateaus in at least one region of field, i.e., N m = (6,10,11) and N m = (7,8,9,12). What those chains have in common when tracking their partition points (caption in Figure 10) is that the first group is cutting the chain in different points between spins S (1,i) and S (2,i) of a molecule with a "perpendicular-like" (S (2,j) in the intermolecular coupling) topology.…”
Section: Beyond Two Smmsmentioning
confidence: 88%
“…The entanglement in Figures 9 and A5 reflect two different types of exchange interaction topologies given by the way two nn SMMs are coupled. An implication of this is that it is likely that the way we confine the SMMs into the SWCNTs could be detected (among our three configurations), i.e., the resulting configuration could be distinguished if we happen to have thermal observables that witness the entanglement properties [3,9,10] along with the plateaus on the magnetization.…”
Section: Beyond Two Smmsmentioning
confidence: 97%
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“…The best compromise was to dress cheap local (LDA) or semilocal (GGA) DFT functionals with Hubbard-type and dispersion corrections (DFT+U+D), performing periodic calculations in the solid state. However, the U value was not fixed and needed to be determined for each system with a certain dispersion correction scheme if lacking reference values. , Recently, Vela and co-workers parametrized the U with D3 dispersion correction scheme for reported Fe­(II) SCO compounds. Fixed U values all showed excellent transferability.…”
Section: Introductionmentioning
confidence: 99%
“…However, the U value was not fixed and needed to be determined for each system with a certain dispersion correction scheme if lacking reference values. 32,33 Recently, Vela and co-workers parametrized the U with D3 dispersion correction scheme for reported Fe(II) SCO compounds. Fixed U values all showed excellent transferability.…”
Section: ■ Introductionmentioning
confidence: 99%