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Creators/Authors contains: "Nguyen, Thuy‐Ai_D"

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  1. ; ; ; ; ; ; (, Chemistry – A European Journal)
    Abstract Reaction of [CuH(PPh3)]6with 1 equiv. of Tl(OTf) results in formation of [Cu6TlH6(PPh3)6][OTf] ([1]OTf]), which can be isolated in good yields. Variable‐temperature1H NMR spectroscopy, in combination with density functional theory (DFT) calculations, confirms the presence of a rare Tl−H orbital interaction. According to DFT, the1H chemical shift of the Tl‐adjacent hydride ligands of[1]+includes 7.7 ppm of deshielding due to spin‐orbit effects from the heavy Tl atom. This study provides valuable new insights into a rare class of metal hydrides, given that[1][OTf]is only the third isolable species reported to contain a Tl−H interaction. 
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