Photoelectron spectroscopic and computational study of (M–CO2)− anions, M = Cu, Ag, Au,The Journal of Chemical Physics

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Photoelectron spectroscopic and computational study of (M–CO2)− anions, M = Cu, Ag, Au
The Journal of Chemical Physics ( IF 3.1 ) Pub Date : 2015-11-05 15:16:49 , DOI: 10.1063/1.4935061
Eunhak Lim ₁ , Seong K. Kim ₁ , Kit H. Bowen ₂

Affiliation

In a combined photoelectron spectroscopic and computational study of (M–CO₂)⁻, M = Au, Ag, Cu, anionic complexes, we show that (Au–CO₂)⁻ forms both the chemisorbed and physisorbed isomers, AuCO 2 − and Au ⁻(CO₂), respectively; that (Ag–CO₂)⁻ forms only the physisorbed isomer, Ag ⁻(CO₂); and that (Cu–CO₂)⁻ forms only the chemisorbed isomer, CuCO 2 − . The two chemisorbed complexes, AuCO 2 − and CuCO 2 − , are covalently bound, formate-like anions, in which their CO₂ moieties are significantly reduced. These two species are examples of electron-induced CO₂ activation. The two physisorbed complexes, Au ⁻(CO₂) and Ag ⁻(CO₂), are electrostatically and thus weakly bound.

中文翻译：

（M–CO2）−阴离子的光电子能谱和计算研究，M = Cu，Ag，Au

在对（M–CO ₂）^-，M = Au，Ag，Cu，阴离子配合物的光电子能谱和计算的联合研究中，我们表明（Au–CO ₂）^-既形成了化学吸附和物理吸附的异构体AuCO 2-和金^-（CO ₂），分别; 该（AG-CO ₂）^-的形式仅物理吸附的异构体，银^-（CO ₂）; （Cu-CO ₂）^-仅形成化学吸附的异构体CuCO 2-。两种化学吸附的络合物AuCO 2-和CuCO 2-是共价键结合的甲酸样阴离子，其中的CO ₂部分显着减少。这两种是电子诱导的CO ₂活化的例子。两个物理吸附的复合物，金^-（CO ₂）和Ag ^-（CO ₂），被静电因而弱键合。

更新日期：2015-11-06

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