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Isomerism in Supramolecular Adducts of Atomically Precise Nanoparticles
Abhijit Nag, Papri Chakraborty, Ganesan Paramasivam, Mohammad Bodiuzzaman, Ganapati Natarajan,
Published in American Chemical Society
2018
PMID: 30303380
Volume: 140
   
Issue: 42
Pages: 13590 - 13593
Abstract
We present isomerism in a few supramolecular adducts of atomically precise nanoparticles, [Ag29(BDT)12∩(CD)n]3- (n = 1-6), abbreviated as I where BDT and CD are 1,3-benzenedithiol and cyclodextrins (α, β and γ), respectively; ∩ symbolizes an inclusion complex. The different host-guest complexes of I were characterized in the solution state as well as in the gas phase. The CDs (α, β and γ) encapsulate a pair of BDT ligands protecting the Ag29 core. This unique geometry of the supramolecular adducts makes the system similar to octahedral complexes of transition metals, which manifest various isomers. These isomers of I (n = 2-4) were separated by ion mobility mass spectrometry (IM MS). We proposed structures of all the inclusion complexes with the help of IM MS measurements and molecular docking, density functional theory (DFT), and collision cross section (CCS) calculations. Copyright © 2018 American Chemical Society.
About the journal
JournalData powered by TypesetJournal of the American Chemical Society
PublisherData powered by TypesetAmerican Chemical Society
ISSN00027863
Open AccessNo
Concepts (27)
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    Density functional theory
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    Mass spectrometry
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    Nanoparticles
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    Stereochemistry
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    Supramolecular chemistry
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    Transition metals
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    COLLISION CROSS SECTIONS
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    Gasphase
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    HOST GUEST COMPLEXES
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    Inclusion complex
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    ION MOBILITY-MASS SPECTROMETRY
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    Molecular docking
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    OCTAHEDRAL COMPLEX
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    SUPRAMOLECULAR ADDUCTS
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    Isomers
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    Ligand
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    Metal complex
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    Nanoparticle
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    Transition element
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    Article
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    Calculation
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    Complex formation
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    Electrospray mass spectrometry
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    Hydrogen bond
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    Isomer
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    Isomerism
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    Molecular interaction