Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds

Huaiyu Zhang; Rui Yuan; Wei Wu; Yirong Mo

doi:10.1002/chem.202000058

Two Push-Pull Channels Enhance the Dinitrogen Activation by Borylene Compounds

Chemistry. 2020 Feb 26;26(12):2520. doi: 10.1002/chem.202000058. Epub 2020 Jan 30.

Authors

Huaiyu Zhang¹, Rui Yuan¹, Wei Wu², Yirong Mo³

Affiliations

¹ Institute of Computational Quantum Chemistry, College of Chemistry and Material Science, Hebei Normal University, Shijiazhuang, 050024, P. R. China.
² Fujian Provincial Key Laboratory of Theoretical and Computational, Chemistry, State Key Laboratory of Physical Chemistry of Solid Surfaces, College of Chemistry and Chemical Engineering, iChEM, Xiamen University, Xiamen, 361005, P. R. China.
³ Department of Chemistry, Western Michigan University, Kalamazoo, MI, 49008, USA.

PMID: 31997407
DOI: 10.1002/chem.202000058

Abstract

Borylenes can bind and activate N₂ . In the end-on bridging borylene-N₂ complexes, the π orbitals of N₂ dominate the σ donation to one of the borylenes whereas the perpendicular π* anti-bonding orbitals of N₂ can accept back-donations from another borylene. Thus, there are two opposite and perpendicular push-pull channels which govern the activation of N₂ and the BNNB bent geometry. More information can be found in the Full Paper by Y. Mo, et al. on page 2619. Invited for the cover of this issue is Huaiyu Zhang and co-workers. The image depicts the push-pull channels in dinitrogen activation by two borylenes. Read the full text of the article at 10.1002/chem.201904724.