Journal
CHEMICAL SCIENCE
Volume 14, Issue 4, Pages 889-896Publisher
ROYAL SOC CHEMISTRY
DOI: 10.1039/d2sc05815d
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The study reports the unprecedented reactivity of coinage metal-aluminyl complexes with dihydrogen. Similar to group 14 dimetallenes and dimetallynes, these complexes are predicted to activate H-2 under mild conditions. Two different reaction pathways are found, revealing a common driving force - the nucleophilic behavior of the electron-sharing M-Al (M = Cu, Ag, Au) bond, enabling a cooperative and diradical-like mechanism. This mode of chemical reactivity emerges as a new paradigm for dihydrogen activation and calls for experimental feedback.
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 H-2 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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