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    [Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly

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    atomic level.pdf
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    Description:
    Accepted manuscript
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    Type
    Article
    Authors
    Huang, Renwu
    Yin, Jun cc
    Dong, Chunwei
    Maity, Partha cc
    Hedhili, Mohamed N. cc
    Nematulloev, Saidkhodzha
    Alamer, Badriah Jaber
    Ghosh, Atanu cc
    Mohammed, Omar F. cc
    Bakr, Osman cc
    KAUST Department
    KAUST Catalysis Center (KCC)
    Physical Science and Engineering (PSE) Division
    KAUST Solar Center (KSC)
    Surface Science
    Chemical Science
    Chemical Science Program
    Material Science and Engineering Program
    Date
    2020-12-17
    Submitted Date
    2020-11-02
    Permanent link to this record
    http://hdl.handle.net/10754/666519
    
    Metadata
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    Abstract
    Polyhydrido copper nanoclusters are an emerging class of nanomaterials. Unfortunately, insights into the structural evolution and structure–property relationship of such copper nanoclusters are scant, because of the difficulty of synthesizing and crystallizing nanoclusters with high nuclearity and new morphologies. Here, we report an anisotropic cuboidal polyhydrido copper nanocluster, [Cu23(PhSe)16(Ph3P)8(H)6]·BF4, with a distorted cuboctahedral Cu13 core stabilized by two square protecting motifs and six hydrides. The cuboidal nanoclusters self-assemble into a quasi-simple cubic packing pattern with perfect face-to-face contact of neighboring nanoclusters and interdigitation of intercluster surface ligands. Atomic-level observations reveal the crucial role that subtle synergies between nanocluster geometry and intercluster noncovalent interactions play in guiding nanocluster self-assembly. In addition, a comparison with previously reported analogous metal nanoclusters points to bulky monodentate phosphine ligands as a potent inducing agent for the formation of rectangular hexahedral nanoclusters. These findings have significant implications for the controllable synthesis of polyhedral nanomaterials and their superstructures.
    Citation
    Huang, R.-W., Yin, J., Dong, C., Maity, P., Hedhili, M. N., Nematulloev, S., … Bakr, O. M. (2020). [Cu23(PhSe)16(Ph3P)8(H)6]·BF4: Atomic-Level Insights into Cuboidal Polyhydrido Copper Nanoclusters and Their Quasi-simple Cubic Self-Assembly. ACS Materials Letters, 90–99. doi:10.1021/acsmaterialslett.0c00513
    Sponsors
    This work was supported by King Abdullah University of Science and Technology (KAUST) and Saudi Basic Industries Corporation (SABIC).
    Publisher
    American Chemical Society (ACS)
    Journal
    ACS Materials Letters
    DOI
    10.1021/acsmaterialslett.0c00513
    Additional Links
    https://pubs.acs.org/doi/10.1021/acsmaterialslett.0c00513
    ae974a485f413a2113503eed53cd6c53
    10.1021/acsmaterialslett.0c00513
    Scopus Count
    Collections
    Articles; Physical Science and Engineering (PSE) Division; Chemical Science Program; Material Science and Engineering Program; KAUST Catalysis Center (KCC); KAUST Solar Center (KSC)

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