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The reactions of Pd + and Pt + with CS 2 have been investigated at B3LYP, CCSD(T) and QCISD(T) levels of theory. Both Pd + and Pt + are found to be able to activate the C–S bond in CS 2 and produce the products PdS + and PtS + through insertion–elimination mechanism. For both Pd + and Pt + the spin-forbidden reaction ...
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