Experimental and Theoretical Study of a Gold(I) Aminonitrene Complex in the Gas Phase



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How strong are you? It takes about 45 kcal mol−1 to form a gold dimethylaminonitrene complex in the gas phase via N[BOND]P bond dissociation and 51 kcal mol−1 to break its Au[BOND]N bond (see figure). A screening of density functionals identified the M06 family to be the best in reproducing the observed thermochemistry.