Dr. Zhang Huaiyu of Hebei Normal University made important progress in the study of carbon monoxide activation mechanism

Recently, Dr Zhang Huaiyu, a young teacher of the school of chemistry and materials science of Hebei Normal University, published the research results on the mechanism of boron alkyne activating carbon monoxide in the top academic journal of chemistry, German Applied Chemistry (angel Chem Int ed., 2018, DOI: 10.1002/anie.201805952) CO is an important carbon source in chemical industry Transition metals play an important role in carbon monoxide CO activation and oxidation The σ coordination and feedback π bond models proposed by blyholder et al Have successfully explained the bonding nature of the transition metal co interaction Among them, the transition metal d orbitals which match the symmetry of π * bond of CO participate in the formation of feedback π bond In recent ten years, P-domain elements have made great breakthroughs in the field of CO activation, but there is no d-orbital occupied by P-domain elements Zhang Huaiyu et al Used quantum chemistry to explore the mechanism of boron alkyne compound B 2 (NHC) 2 activating Co, and found that there was a strong spatial repulsion between CO and B 2 (NHC) 2, which made the highest occupied orbit and the lowest orbit of B 2 (NHC) 2 spontaneously exchange, forming transition metal and Co The interaction is similar to the feedback π bond, thus realizing activation This study has played a positive role in the correct understanding of the metalloid properties of boron compounds and the activation of carbon monoxide by boron alkyne, and has an important role in promoting the theoretical and practical research in related fields The work was completed by Dr Zhang Huaiyu, a young teacher of our university, in cooperation with Prof Mo Yirong of the University of West Michigan, Prof Wu Wei and Prof Cao Zexing of Xiamen University The related achievements were published by the first unit of Hebei Normal University, with Dr Zhang Huaiyu as the first author.