Conversion of carbon dioxide to a novel molecule NCNBO− mediated by NbBN2− anions at room temperature
文献情報
Lan-Ye Chu, Ming Wang, Jia-Bi Ma
The activation of carbon dioxide (CO2) mediated by NbBN2− cluster anions under the conditions of thermal collision has been investigated by time-of-flight mass spectrometry combined with density functional theory calculations. Two CO double bonds in the CO2 molecule are completely broken and two C–N bonds are further generated to form the novel molecule NCNBO−. To the best of our knowledge, this new molecule is synthesized and reported for the first time. In addition, one oxygen atom transfer channel produces another product, NbBN2O−. Both of the Nb and B atoms in NbBN2− donate electrons to reduce CO2, and the carbon atom originating from CO2 serves as an electron reservoir. The reaction of NbB− with N2 was also investigated theoretically, and the formation of NbBN2− from this reaction is thermodynamically and kinetically quite favorable, indicating that NCNBO− might be produced from the coupling of N2 and CO2 mediated by NbB− anions.
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