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An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state.

ABSTRACT: Single-molecule magnets are compounds that exhibit magnetic bistability purely of molecular origin. The control of anisotropy and suppression of quantum tunneling to obtain a comprehensive picture of the relaxation pathway manifold, is of utmost importance with the ultimate goal of slowing the relaxation dynamics within single-molecule magnets to facilitate their potential applications. Combined ab initio calculations and detailed magnetization dynamics studies reveal the unprecedented relaxation mediated via the second excited state within a new DyNCN system comprising a valence-localized carbon coordinated to a single dysprosium(III) ion. The essentially C2v symmetry of the Dy(III) ion results in a new relaxation mechanism, hitherto unknown for mononuclear Dy(III) complexes, opening new perspectives for means of enhancing the anisotropy contribution to the spin-relaxation barrier.

SUBMITTER: Guo YN

PROVIDER: S-EPMC4073120 | biostudies-literature | 2014

REPOSITORIES: biostudies-literature

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An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state.

Guo Yun-Nan YN Ungur Liviu L Granroth Garrett E GE Powell Annie K AK Wu Chunji C Nagler Stephen E SE Tang Jinkui J Chibotaru Liviu F LF Cui Dongmei D

Scientific reports 20140627

Single-molecule magnets are compounds that exhibit magnetic bistability purely of molecular origin. The control of anisotropy and suppression of quantum tunneling to obtain a comprehensive picture of the relaxation pathway manifold, is of utmost importance with the ultimate goal of slowing the relaxation dynamics within single-molecule magnets to facilitate their potential applications. Combined ab initio calculations and detailed magnetization dynamics studies reveal the unprecedented relaxatio ...[more]

PMID: 24969218

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Project description:Treatment of the new methanediide-methanide complex [Dy(SCS)(SCSH)(THF)] (1Dy, SCS = {C(PPh2S)2}2-) with alkali metal alkyls and auxillary ethers produces the bis-methanediide complexes [Dy(SCS)2][Dy(SCS)2(K(DME)2)2] (2Dy), [Dy(SCS)2][Na(DME)3] (3Dy) and [Dy(SCS)2][K(2,2,2-cryptand)] (4Dy). For further comparisons, the bis-methanediide complex [Dy(NCN)2][K(DB18C6)(THF)(toluene)] (5Dy, NCN = {C(PPh2NSiMe3)2}2-, DB18C6 = dibenzo-18-crown-6 ether) was prepared. Magnetic susceptibility experiments reveal slow relaxation of the magnetisation for 2Dy-5Dy, with open magnetic hysteresis up to 14, 12, 15, and 12 K, respectively (∼14 Oe s-1). Fitting the alternating current magnetic susceptibility data for 2Dy-5Dy gives energy barriers to magnetic relaxation (U eff) of 1069(129)/1160(21), 1015(32), 1109(70), and 757(39) K, respectively, thus 2Dy-4Dy join a privileged group of SMMs with U eff values of ∼1000 K and greater with magnetic hysteresis at temperatures >10 K. These structurally similar Dy-components permit systematic correlation of the effects of axial and equatorial ligand fields on single-molecule magnet performance. For 2Dy-4Dy, the Dy-components can be grouped into 2Dy-cation/4Dy and 2Dy-anion/3Dy, where the former have almost linear C[double bond, length as m-dash]Dy[double bond, length as m-dash]C units with short average Dy[double bond, length as m-dash]C distances, and the latter have more bent C[double bond, length as m-dash]Dy[double bond, length as m-dash]C units with longer average Dy[double bond, length as m-dash]C bonds. Both U eff and hysteresis temperature are superior for the former pair compared to the latter pair as predicted, supporting the hypothesis that a more linear axial ligand field with shorter M-L distances produces enhanced SMM properties. Comparison with 5Dy demonstrates unusually clear-cut examples of: (i) weakening the equatorial ligand field results in enhancement of the SMM performance of a monometallic system; (ii) a positive correlation between U eff barrier and axial linearity in structurally comparable systems.

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An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state.

Publications

An NCN-pincer ligand dysprosium single-ion magnet showing magnetic relaxation via the second excited state.

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