title: Nature of chemical bonding and metalloaromaticity of Na2[(MArx')3] (M = B, Al, Ga; Arx' = C6H3-2,6-(C6H5)2).
abstract: The nature of chemical bonding and metalloaromaticity of Na(2)[(MArx')(3)] (M = B, Al, Ga) have been studied within the framework of the atoms in molecules (AIM) theory and using electron localization function (ELF) analysis. The π electrons of the studied systems were separated from the total electron density and analyzed. The calculated results indicate that there are closed-shell weak interactions between the sodium atom and the M(3) (M = B, Al, Ga) ring, between the sodium atom and the terminal phenyl group on each Arx', and between the terminal phenyl groups on Arx' in Na(2)[(MArx')(3)]. The Na(2)[(MArx')(3)] has metalloaromatic nature, and the sodium atoms have an active role in determining the computed aromatic properties of the three-numbered cycle.
authors.affiliation: College of Chemistry and Material Science, Hebei Normal University, Yuhua Road, Shijiazhuang, 050016, China.
authors.forename: Xiaoyan
authors.initials: X
authors.lastname: Li
authors.forename: Jie
authors.initials: J
authors.lastname: Sun
authors.forename: Yanli
authors.initials: Y
authors.lastname: Zeng
authors.forename: Zheng
authors.initials: Z
authors.lastname: Sun
authors.forename: Shijun
authors.initials: S
authors.lastname: Zheng
authors.forename: Lingpeng
authors.initials: L
authors.lastname: Meng