Synergetic electron donation and back-donation interactions in (Au−CO2)− complex: A joint anionic photoelectron velocity-map imaging spectroscopy and theoretical investigation

Zhiling Liu,Jing He,Ya Li,Qingyang Lin,Jingmei Jiao,Lianxia Liu,Yonghong Yan,Haishun Wu,Fuqiang Zhang,Jianfeng Jia,Hua Xie

Chemical Physics Letters（2022）

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摘要

The CO2 activation by Au− anion stems from the synergetic back-donations from 5d/6s orbitals of Au− to anti-bonding π orbitals of CO2 and the donation from the bonding orbitals delocalized over the entirety of CO2 to the empty 6p orbital of Au−.

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关键词

CO2 activation,Photoelectron imaging,Density functional theory,Transition metal,Chemical bonding

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