Phenylacetylene and Carbon Dioxide Activation by an Organometallic Samarium Complex

International audienceSmall molecule activation is a topic of growing importance and the use of low-valent f-elements to perform these reactions is nowadays well established. The complex Cp tt 2 Sm(thf) (1, Cp tt = 1,3-(t Bu) 2 Cp) is shown to activate the alkyne C-H bond of phenylacetylene to form the Cp tt 2 Sm(C≡C-Ph)(thf) complex. The subsequent reaction of this Sm(III) complex with CO 2 leads to the CO 2 insertion, yielding a dimeric [Cp tt 2 Sm(O 2 C-C≡C-Ph)] 2 complex (2), in which the carbon dioxide has been inserted in the Sm-C bond. Along with the experimental chemical structure analysis, theoretical calculations have been performed in order to rationalize the formation of 1 and 2