Dataset Information

Ligand-Rearrangement-Induced Transformation from a 3D Supramolecular Network to a Discrete Octanuclear Cluster: A Good Detector for Pb2+ and Cr2O7 2.

ABSTRACT: A three-dimensional supramolecular framework containing both left- and right-handed helixes, {[Zn(TTPA)Cl2]·1.63H2O} n (1), has been converted to a novel octanuclear cluster containing a metal-organic framework, [Zn8(ptptp)6Cl2](ClO4)2·4CH3OH·2H2O (1b), induced by ligand rearrangement during a solvothermal process. The luminescent properties of 1b indicate that the material can act as a selective probe toward Pb2+ and Cr2O7 2-.

SUBMITTER: Yang DD

PROVIDER: S-EPMC6682107 | biostudies-literature | 2019 Jul

REPOSITORIES: biostudies-literature

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Publications

Ligand-Rearrangement-Induced Transformation from a 3D Supramolecular Network to a Discrete Octanuclear Cluster: A Good Detector for Pb2+ and Cr2O7 2.

Yang Dan-Dan DD Liu Yue Y Li ShuangShuang S Cheng Lin L Wang Ying Y Zhang Ying-Xin YX Chen Kai K Gao Yi-Xuan YX Ren Peng P Day Gregory S GS Wang Ying Y

ACS omega 20190701 7

A three-dimensional supramolecular framework containing both left- and right-handed helixes, {[Zn(TTPA)Cl2]·1.63H2O} n (1), has been converted to a novel octanuclear cluster containing a metal-organic framework, [Zn8(ptptp)6Cl2](ClO4)2·4CH3OH·2H2O (1b), induced by ligand rearrangement during a solvothermal process. The luminescent properties of 1b indicate tha ...[more]

PMID: 31460254

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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

Ligand-Rearrangement-Induced Transformation from a 3D Supramolecular Network to a Discrete Octanuclear Cluster: A Good Detector for Pb2+ and Cr2O7 2.

Publications

Ligand-Rearrangement-Induced Transformation from a 3D Supramolecular Network to a Discrete Octanuclear Cluster: A Good Detector for Pb<sup>2+</sup> and Cr<sub>2</sub>O<sub>7</sub> <sup>2</sup>.

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