PtHn(-) 团簇阴离子对 CO2 的活化和加氢作用。
CO2 Activation and Hydrogenation by PtHn (-) Cluster Anions.
机构信息
Department of Chemistry, Johns Hopkins University, 3400 N. Charles Street, Baltimore, MD, 21218, USA.
Institut für Physik, Universität Rostock, Albert-Einstein-Str. 24, 18059, Rostock, Germany.
出版信息
Angew Chem Int Ed Engl. 2016 Aug 8;55(33):9644-7. doi: 10.1002/anie.201604308. Epub 2016 Jul 1.
Gas phase reactions between PtHn (-) cluster anions and CO2 were investigated by mass spectrometry, anion photoelectron spectroscopy, and computations. Two major products, PtCO2 H(-) and PtCO2 H3 (-) , were observed. The atomic connectivity in PtCO2 H(-) can be depicted as HPtCO2 (-) , where the platinum atom is bonded to a bent CO2 moiety on one side and a hydrogen atom on the other. The atomic connectivity of PtCO2 H3 (-) can be described as H2 Pt(HCO2 )(-) , where the platinum atom is bound to a formate moiety on one side and two hydrogen atoms on the other. Computational studies of the reaction pathway revealed that the hydrogenation of CO2 by PtH3 (-) is highly energetically favorable.
通过质谱、阴离子光电子能谱和计算研究了 PtHn(-)团簇阴离子与 CO2 的气相反应。观察到两种主要产物 PtCO2H(-)和 PtCO2H3(-)。PtCO2H(-)中的原子连接性可以表示为 HPtCO2(-)，其中铂原子的一侧与弯曲的 CO2 部分键合，另一侧与一个氢原子键合。PtCO2H3(-)的原子连接性可以描述为 H2Pt(HCO2)(-)，其中铂原子的一侧与甲酸盐部分键合，另一侧与两个氢原子键合。反应途径的计算研究表明，PtH3(-)对 CO2 的加氢反应在能量上是非常有利的。
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