Direct Conversion of N and O to Nitric Oxide at Room Temperature Initiated by Double Aromaticity in the YBO Cation.

The conversion of dinitrogen to more useful and reactive molecules has been the focus of intense research by chemists. In contrast to reductive N fixation, direct oxidation of N by O to nitric oxide under mild conditions via a thermochemical process is extremely challenging. Herein, we report the first example of N and O activation and coupling under thermochemical conditions through the remarkable ability of YBO to react with one N and two O molecules.

Plasma-promoted reactions of the heterobimetallic anions CuNb with dinitrogen and subsequent reactions with carbon dioxide: formation of C-N bonds.

The activation and functionalization of dinitrogen with carbon dioxide into useful chemicals containing C-N bonds are significant research projects but highly challenging. Herein, we report that N molecules are dissociated by heterobimetallic CuNb anions assisted by surface plasma radiation, leading to the formation of CuNbN anions; the CuNbN anions can further react with CO to generate products NCO with one C-N bond and NbONCN with two C-N bonds under thermal collision conditions. For the activation of dinitrogen, the plasma atmosphere is conducive to the dissociation of the NN bond, which renders the coupling reactions of N and CO molecules easier to proceed.

Conversion of carbon dioxide to a novel molecule NCNBO mediated by NbBN anions at room temperature.

The activation of carbon dioxide (CO) mediated by NbBN cluster anions under the conditions of thermal collision has been investigated by time-of-flight mass spectrometry combined with density functional theory calculations. Two CO double bonds in the CO 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.

Nitrogen Activation and Transformation on Monometallic Niobium Boron Oxide Cluster Anions at Room Temperature: A Dual-Site Mechanism.

Dinitrogen activation and transformation at room temperature is a goal that has been long sought after. Despite that, it remains underdeveloped due to being a challenging research area and the need for a better mechanistic understanding. Herein, we report that well-defined NbBO gas-phase clusters can activate one N molecule and generate the products BNO and BNO, as applying mass spectrometry and theoretical calculations.

Dinitrogen and Carbon Dioxide Activation to Form C-N Bonds at Room Temperature: A New Mechanism Revealed by Experimental and Theoretical Studies.

In light of the current energy requirements, the conversion of CO and N into useful C-N bond-containing products under mild conditions has become an area of intense research. However, the inert nature of N and CO renders their coupling extremely challenging. Herein, nitrogen and carbon atoms originating from N and CO, respectively, are fixed sequentially by NbH anions in the gas phase at room temperature.