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M₄Au₁₂Ag₃₂(p-MBA)₃₀ (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.

ABSTRACT: Crystals of M₄Au₁₂Ag₃₂(p-MBA)₃₀ bimetallic monolayer-protected clusters (MPCs), where p-MBA is p-mercapto-benzoic acid and M⁺ is a counter-cation (M = Na, Cs) have been grown and their structure determined. The mol-ecular structure of triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver, Au₁₂Ag₃₂(C₇H₅O₂S)₃₀ or C₂₁₀H₁₅₀Ag₃₂Au₁₂O₆₀S₃₀, exhib-its point group symmetry at 100?K. The overall diameter of the MPC is approximately 28?Å, while the diameter of the Au₁₂Ag₂₀ metallic core is 9?Å. The structure displays ligand bundling and inter-molecular hydrogen bonding, which gives rise to a framework structure with 52% solvent-filled void space. The positions of the M⁺ cations and the DMF solvent mol-ecules within the void space of the crystal could not be determined. Three out of the five crystallographically independent ligands in the asymmetric unit cell are disordered over two sets of sites. Comparisons are made to the all-silver M₄Ag₄₄(p-MBA)₃₀ MPCs and to expectations based on density functional theory.

SUBMITTER: Conn BE

PROVIDER: S-EPMC6038627 | biostudies-literature | 2018 Jul

REPOSITORIES: biostudies-literature

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M4Au12Ag32(p-MBA)30 (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.

Conn Brian E BE Bhattarai Badri B Atnagulov Aydar A Yoon Bokwon B Landman Uzi U Bigioni Terry P TP

Acta crystallographica. Section E, Crystallographic communications 20180619 Pt 7

Crystals of M4Au12Ag32(p-MBA)30 bimetallic monolayer-protected clusters (MPCs), where p-MBA is p-mercapto-benzoic acid and M+ is a counter-cation (M = Na, Cs) have been grown and their structure determined. The mol-ecular structure of triacontakis[(4-carboxylatophenyl)sulfanido]dodecagolddotriacontasilver, Au12Ag32(C7H5O2S)30 or C ...[more]

PMID: 30002900

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Project description:Gold clusters protected by 3-MBA ligands (MBA = mercaptobenzoic acid, -SPhCO2H) have attracted recent interest due to their unusual structures and their advantageous ligand-exchange and bioconjugation properties. Azubel et al. first determined the core structure of an Au68-complex, which was estimated to have 32 ligands (3-MBA groups). To explain the exceptional structure-composition and reaction properties of this complex, and its larger homologs, Tero et al. proposed a "dynamic stabilization" via carboxyl O-H--Au interactions. Herein, we report the first results of an integrated liquid chromatography/mass spectrometer (LC/MS) analysis of unfractionated samples of gold/3-MBA clusters, spanning a narrow size range 13.4 to 18.1 kDa. Using high-throughput procedures adapted from bio-macromolecule analyses, we show that integrated capillary high performance liquid chromatography electrospray ionization mass spectrometer (HPLC-ESI-MS), based on aqueous-methanol mobile phases and ion-pairing reverse-phase chromatography, can separate several major components from the nanoclusters mixture that may be difficult to resolve by standard native gel electrophoresis due to their similar size and charge. For each component, one obtains a well-resolved mass spectrum, nearly free of adducts or signs of fragmentation. A consistent set of molecular mass determinations is calculated from detected charge-states tunable from 3- (or lower), to 2+ (or higher). One thus arrives at a series of new compositions (n, p) specific to the Au/3-MBA system. The smallest major component is assigned to the previously unknown (48, 26); the largest one is evidently (67, 30), vs. the anticipated (68, 32). Various explanations for this discrepancy are considered. A prospective is given for the various members of this novel series, along with a summary of the advantages and present limitations of the micro-scale integrated LC/MS approach in characterizing such metallic-core macro-molecules, and their derivatives.

Dataset Information

M₄Au₁₂Ag₃₂(p-MBA)₃₀ (M = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.

Publications

<i>M</i><sub>4</sub>Au<sub>12</sub>Ag<sub>32</sub>(<i>p</i>-MBA)<sub>30</sub> (<i>M</i> = Na, Cs) bimetallic monolayer-protected clusters: synthesis and structure.

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