Congratulations to Jingjing, Yulei, and Ke for their paper accepted in Chem. Commun.
Unexpected Higher Stabilisation of Two Classical Antiaromatic Frameworks with a Ruthenium Fragment over Osmium Counterpart: Origin Probed by DFT Calculations
Jingjing Wu, Yulei Hao, Ke An and Jun Zhu
Chem. Commun., 2015, Accepted Manuscript
Accepted 18 Oct 2015
First published online 19 Oct 2015
Density functional theory (DFT) calculations were carried out to investigate the stability and aromaticity of metallapentalocyclobutadienes. The results reveal unexpected higher stabilisation with a 3d ruthenium fragment over 4d osmium couterpart. Moreover, direct 1−3 metal−carbon bonding in the metallabutadiene unit of these two complexes is negligible.