Mechanistic insights from theory on the reduction of CO2, N2O, and SO2 molecules using tripodal diimine-enolate substituted magnesium(i) dimers

Christos E. Kefalidis, Cameron Jones, Laurent Maron

Research output: Contribution to journalArticleResearchpeer-review

3 Citations (Scopus)


The mechanistic investigation of the reductive coupling vs. reductive disproportionation of CO2 using magnesium(i) dimers bearing tripodal ligands, [{Mg[κ3-N,N′,O-(ArNCMe)2(OCCPh2)CH]}2] (Ar = C6H3Et2-2,6) has been carried out using DFT computational methods. We also elucidated the reduction of N2O to form a μ-oxo magnesium complex which upon addition of CO2 affords the experimentally observed carbonate complex. Finally, the interesting reactivity towards SO2 is considered and some insights into the mechanistic aspects of such activation/homo-coupling reaction are given for both "Nacnac" substituted magnesium(i) dimers ([{(DipNacnac)Mg}2] (DipNacnac = [(DipNCMe)2CH]-, Dip = C6H3Pri 2-2,6)) and those bearing tripodal ligands. The analogy between the activation chemistry of low-valent f-block metal complexes with that of magnesium systems is highlighted.

Original languageEnglish
Pages (from-to)14789-14800
Number of pages12
JournalDalton Transactions
Issue number37
Publication statusPublished - 2016

Cite this