Does CO$_2$ bending and activation by a Frustrated Lewis Pair facilitate its reduction by hydride transfer?

T. Cantat (1)

1 LCMCE - Laboratoire de Chimie Moléculaire et de Catalyse pour l'Energie (ex LCCEF)

With 95 % of organic chemical commodities deriving from fossil resources, the chemical industry is currently exploring novel and renewable carbon feedstocks for the production of both bulk and fine chemicals. In this context, the utilization of CO$_2$ or products derived from biomass wastes is an attractive strategy to access value-added products. Because these carbon sources feature carbon atoms in an oxidized state, the development of reduction methods is needed and they cali for the design of efficient catalysts able to break strong co and c=o bonds. Over the last years, our group has developed novel catalytic reactions for the conversion of CO$_2$ to formamides, N-heterocyc1es, methylamines and methanol, using hydroboranes, hydrosilanes or formic acid as reductants. Extension of this methodology to S0$_2$ enabled the facile conversion of this gaz to sulfones, under metal-free conditionsP These new catalytic transformations rely on the use of simple organocatalysts, inc1uding nitrogen and phosphorus bases as weil as Frustrated Lewis Pairs. The mechanisms at play in these transformations will be presented, based on DFT calculations and isolation ofreactive catalytic intermediates.

Domaines: Matériaux

T. Cantat. Does CO$_2$ bending and activation by a Frustrated Lewis Pair facilitate its reduction by hydride transfer?. Challenges in Computational Homogeneous Catalysis, Jun 2017, Stockholm, Sweden. ⟨cea-02341634⟩