Dataset Information

A mixed-valence [Co^II₄Co^III₂] cluster with defect disk-shaped topology.

ABSTRACT: The employment of the new Schiff base ligand 2-[(4-chloro-2-hydroxybenzylideneamino)methyl]phenol (H₂L) bearing O₂N donors for the preparation of a novel Co₆ cluster is reported. The hexanuclear cobalt complex, namely, di-μ₂-acetatotetrakis{μ₂-2-[(4-chloro-2-oxidobenzylideneamino)methyl]phenolato}tetra-μ₃-methanolato-tetracobalt(II)dicobalt(III), [Co^II₄Co^III₂(C₁₄H₁₀ClNO₂)₄(CH₃COO)₂(CH₃O)₄], was obtained using Co(CH₃COO)₂·4H₂O and H₂L as starting materials in MeOH under solvothermal conditions. The six metal ions are linked together by the μ₃-O atoms of four deprotonated MeOH molecules, two CH₃COO^- units and six phenolate O atoms of four L^2- ligands to form a defect disk-shaped topology. DC magnetic susceptibility investigations revealed the existence of antiferromagnetic interactions in the Co₆ cluster.

SUBMITTER: Yang H

PROVIDER: S-EPMC9444020 | biostudies-literature | 2022 Sep

REPOSITORIES: biostudies-literature

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A mixed-valence [CoII4CoIII2] cluster with defect disk-shaped topology.

Yang Hua H Fu Yu Pei YP Huang Yuan Y Chen Xiao Li XL Qiao Dan D Cui Hua Li HL

Acta crystallographica. Section C, Structural chemistry 20220826 Pt 9

The employment of the new Schiff base ligand 2-[(4-chloro-2-hydroxybenzylideneamino)methyl]phenol (H2L) bearing O2N donors for the preparation of a novel Co6 cluster is reported. The hexanuclear cobalt complex, namely, di-μ2-acetatotetrakis{μ2-2-[(4-chloro-2-oxidobenzylideneamino)methyl]phenolato}tetra-μ3-methanolato-tetracobalt(II)dicobalt(III), [CoII4CoIII2(C14H10 ...[more]

PMID: 36063376

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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

A mixed-valence [Co^II₄Co^III₂] cluster with defect disk-shaped topology.

Publications

A mixed-valence [Co<sup>II</sup><sub>4</sub>Co<sup>III</sup><sub>2</sub>] cluster with defect disk-shaped topology.

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