A Digallane Gold Complex with a 12-Electron Auride Center: Synthesis and Computational Studies
收藏NIAID Data Ecosystem2026-03-12 收录
下载链接：
https://figshare.com/articles/dataset/A_Digallane_Gold_Complex_with_a_12-Electron_Auride_Center_Synthesis_and_Computational_Studies/13161894
下载链接
链接失效反馈官方服务：
资源简介：
The
reaction of Power’s digalladeltacyclane with Au(PPh3)Cl led to formation of a digallium gold complex (2)
with both chloride and gold bridging between two gallium atoms.
The bonding parameters from the solid-state structure of 2 suggested a 12e– Au center stabilized by weakly
coordinated aryl groups. DFT calculations at the M05-2X/[LANL2TZ(f),6-311G(d)]
level indicated a Ga–Au–Ga banana bond with no bonding
interactions between gallium atoms. The gold carries an NBO charge
of −0.0956 e– and is best viewed as an auride.
The weak intramolecular interactions between Au p orbitals and σC–C and σC–H bonds of the adjacent
aromatic rings amount to significant stabilization of the electron-deficient
gold center. The digallium complex 2 represents the first
structural example of a 12 e– organometallic auride
complex, demonstrating its pseudohalide/hydride nature in bonding.
创建时间：
2020-10-29
