Chemical Bonding in Transition Metal Nitride Os3N3 + Cluster: 6π Inorganic Benzene and δ2δ1δ1 Aromaticity

• Published in: ACS omega Vol. 3; no. 12; pp. 17083 - 17091
• Main Authors: Liu, Na, You, Xue-Rui, Zhai, Hua-Jin
• Format: Journal Article
• Language: English
• Published: American Chemical Society 31.12.2018

Inorganic benzene-like clusters with a planar hexagonal ring are of interest in chemistry, as are new types of aromaticity, multifold aromaticity, and in particular δ aromaticity beyond carbon-based organic systems. Here we report on a computational study of chemical bonding in a binary Os3N3 + D 3h...