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Chiral Dodecanuclear Palladium(II) Thio Cluster: Synthesis, Structure, and Formation Mechanism Explored by ESI-MS and DFT Calculations

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https://figshare.com/articles/dataset/Chiral_Dodecanuclear_Palladium_II_Thio_Cluster_Synthesis_Structure_and_Formation_Mechanism_Explored_by_ESI-MS_and_DFT_Calculations/3497792
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The chiral dodecanuclear palladium­(II) thio cluster LaPd12(C3H5NO2S)3(C3H6NO2S)21 (1) was prepared by reacting l-cysteine (l-Cys) with PdCl2 and La2O3 in aqueous solution under carefully controlled conditions. Compound 1 was structurally characterized by single-crystal XRD, TGA, IR, UV–vis, 13C NMR, and CD spectroscopy. Insight into the dimerization process of 1 was obtained by ESI-MS and DFT calculations.
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2016-08-09
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