Dataset Information

Butterfly M₂ ^IIIEr₂ (M^III = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.

ABSTRACT: The reaction of N-(2-pyridylmethyl)iminodiethanol (H₂L, pmide), FeCl₂·4H₂O or AlCl₃·6H₂O with ErCl₃·6H₂O and p-Me-PhCO₂H in the ratio of 2:1:1:4 in the presence of Et₃N in MeOH and MeCN yielded compounds [Fe₂Er₂(?₃-OH)₂(pmide)₂(p-Me-PhCO₂)₆]·2MeCN (1) and [Al₂Er₂(?₃-OH)₂(pmide)₂(p-Me-PhCO₂)₆]·2MeCN (2). These two complexes are isostructural, possessing a planar butterfly motif with the Er^III ions in the wingtip positions. Both compounds show single molecule magnet (SMM) behavior. For the [Al₂Er₂] compound, the slow relaxation of the magnetization under zero applied direct current (dc) field does not show maxima, but the relaxation processes could be analyzed using an applied dc field of 1000 Oe. In-depth alternating current measurements under different dc fields on the [Fe₂Er₂] compound reveals that the Fe-Fe and Fe-Er interactions speed up the relaxation and decrease the energy barrier height of the SMM in comparison with the [Al₂Er₂] case.

SUBMITTER: Peng Y

PROVIDER: S-EPMC6644375 | biostudies-literature | 2018 Jun

REPOSITORIES: biostudies-literature

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Publications

Butterfly M2 IIIEr2 (MIII = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.

Peng Yan Y Mereacre Valeriu V Anson Christopher E CE Powell Annie K AK

ACS omega 20180613 6

The reaction of N-(2-pyridylmethyl)iminodiethanol (H2L, pmide), FeCl2·4H2O or AlCl3·6H2O with ErCl3·6H2O and p-Me-PhCO2H in the ratio of 2:1:1:4 in the presence of Et3N in MeOH and MeCN yielded compounds [Fe2Er2(μ3-OH)2(pmide)2(p-Me-PhCO2)6]·2MeCN (1) and [Al2Er2(μ3</s ...[more]

PMID: 31458819

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Project description:Studies on molecular co-crystal type materials are important in the design and preparation of easy-to-absorb drugs, non-centrosymmetric, and chiral crystals for optical performance, liquid crystals, or plastic phases. From a fundamental point of view, such studies also provide useful information on various supramolecular synthons and molecular ordering, including metric parameters, molecular matching, energetical hierarchy, and combinatorial potential, appealing to the rational design of functional materials through structure-properties-application schemes. Co-crystal salts involving anionic d-metallate coordination complexes are moderately explored (compared to the generality of co-crystals), and in this context, we present a new series of isomorphous co-crystalline salts (PPh4)3[M(CN)6](H3PG)2·2MeCN (M = Cr, 1; Fe, 2; Co 3; H3PG = phloroglucinol, 1,3,5-trihydroxobenzene). In this study, 1-3 were characterized experimentally using SC XRD, Hirshfeld analysis, ESI-MS spectrometry, vibrational IR and Raman, 57Fe Mössbauer, electronic absorption UV-Vis-NIR, and photoluminescence spectroscopies, and theoretically with density functional theory calculations. The two-dimensional square grid-like hydrogen-bond {[M(CN)6]3-;(H3PG)2}∞ network features original {[M(CN)6]3-;(H3PG)4} supramolecular cis-bis(chelate) motifs involving: (i) two double cyclic hydrogen bond synthons M(-CN⋅⋅⋅HO-)2Ar, {[M(CN)6]3-;H2PGH}, between cis-oriented cyanido ligands of [M(CN)6]3- and resorcinol-like face of H3PG, and (ii) two single hydrogen bonds M-CN⋅⋅⋅HO-Ar, {[M(CN)6]3-;HPGH2}, involving the remaining two cyanide ligands. The occurrence of the above tectonic motif is discussed with regard to the relevant data existing in the CCDC database, including the multisite H-bond binding of [M(CN)6]3- by organic species, mononuclear coordination complexes, and polynuclear complexes. The physicochemical and computational characterization discloses notable spectral modifications under the regime of an extended hydrogen bond network.

Dataset Information

Butterfly M₂ ^IIIEr₂ (M^III = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.

Publications

Butterfly M<sub>2</sub> <sup>III</sup>Er<sub>2</sub> (M<sup>III</sup> = Fe and Al) SMMs: Synthesis, Characterization, and Magnetic Properties.

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