Does NHC Directly Participate in the CO<sub>2</sub> Insertion into the U<sup>III</sup>–N Bond? A Density Functional Theory Study
收藏NIAID Data Ecosystem2026-03-09 收录
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The mechanisms of CO2 insertion into the U–N bond of a silylamido NHC (N-heterocyclic carbene) U(III) complex were investigated theoretically. An earlier reported mechanism involving a reversible NHC carboxylation was found to be energetically too demanding, and a novel four-step mechanism featuring a direct CO2 insertion into the U–N bond is proposed.
创建时间：
2014-12-22
