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Radical-like reactivity for dihydrogen activation by coinage metal-aluminyl complexes: computational evidence
Diego Sorbelli1,2, Leonardo Belpassi2, Paola Belanzoni1,2
1Department of Chemistry, Biology and Biotechnology, University of Perugia Via Elce di Sotto 8 - 06123 Perugia Italy diegosorbelli00@gmail.com paola.belanzoni@unipg.it.
Abstract:
The computational study of an unprecedented reactivity of coinage metal-aluminyl complexes with dihydrogen is reported. In close resemblance to group 14 dimetallenes and dimetallynes, the complexes are predicted to activate H2 under mild conditions. Two different reaction pathways are found disclosing a common driving force, i.e., the nucleophilic behavior of the electron-sharing M-Al (M = Cu, Ag, Au) bond, which enables a cooperative and diradical-like mechanism. This mode of chemical reactivity emerges as a new paradigm for dihydrogen activation and calls for experimental feedback.
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