Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon

Zhang Qingnan; Qu Hui; Chen Mohua; Zhou Mingfei

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Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon

机译：Scan原子和一氧化dium分子活化二氧化碳：固体氖中ScCO3和OCScCO3的形成和光谱表征

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The reactions of carbon dioxide with scandium monoxide molecules and scandium atoms are investigated using matrix isolation infrared spectroscopy in solid neon. The species formed are identified by the effects of isotopic substitution on their infrared spectra as well as density functional calculations. The results show;that the ground state ScO molecule reacts With carbon dioxide to form the carbonate complex ScCO3 spontaneously on annealing. The ground state Sc atom reacts with two carbon dioxide molecules to give the carbonate carbonyl complex OCScCO3 via the previously reported OScCO insertion intermediate on annealing. The observation of these spontaneous reactions is consistent with theoretical predictions that both the Sc + 2CO(2) -> OCScCO3 and ScO + CO2 -> ScCO3 reactions are thermodynamically exothermic and are kinetically facile requiring little or no activation energy.

机译：使用固体氖中的基质隔离红外光谱研究了二氧化碳与一氧化oxide分子和scan原子的反应。通过同位素取代对其红外光谱的影响以及密度函数计算，可以确定形成的物质。结果表明，基态ScO分子与二氧化碳反应，在退火时自发形成碳酸盐配合物ScCO3。基态Sc原子与两个二氧化碳分子反应，通过先前报道的在退火中的OScCO插入中间体，得到碳酸羰基络合物OCScCO3。这些自发反应的观察结果与理论预测一致，即Sc + 2CO（2）-> OCScCO3和ScO + CO2-> ScCO3反应在热力学上是放热的，并且动力学上很容易，几乎不需要或不需要活化能。

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《The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory》 |2016年第3期|共8页
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Zhang Qingnan; Qu Hui; Chen Mohua; Zhou Mingfei;
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1. Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon [J] . Zhang Qingnan, Qu Hui, Chen Mohua, The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory . 2016,第3期

机译：Scan原子和一氧化dium分子活化二氧化碳：固体氖中ScCO3和OCScCO3的形成和光谱表征
2. Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex [J] . Polly L. Arnold, Isobel A. Marr, Sergey Zlatogorsky, Dalton transactions: An international journal of inorganic chemistry . 2014,第1期

机译：N-杂环卡宾配合物活化二氧化碳和二硫化碳
3. Evidence for the Existence of Terminal Scandium Imidos: Mechanistic Studies Involving Imido-Scandium Bond Formation and C-H Activation Reactions [J] . Benjamin F. Wicker, Hongjun Fan, Anne K Hickey, Journal of the American Chemical Society . 2012,第49期

机译：末端Scan亚胺存在的证据：涉及亚胺-Scan键形成和C-H活化反应的机理研究
4. Modification of low-density polyethylene based activated carbon using titanium dioxide for carbon monoxide and hydrocarbon adsorption [C] . Yuliusman, Mega Puspita Sari, Azmia Rizka Nafisah International Symposium on Applied Chemistry . 2019

机译：用二氧化钛进行二氧化碳和烃吸附的低密度聚乙烯基活性炭的改变
5. Dynamics of carbon monoxide oxidation on palladium and platinum: A state-specific study of the translational excitation of carbon dioxide produced from carbon monoxide oxidation by adsorbed oxygen atoms on palladium and a comparison of carbon monoxide oxidation by adsorbed oxygen atoms and by nascent oxygen atoms on palladium and platinum. [D] . Wei, Cong. 1995

机译：一氧化碳在钯和铂上氧化的动力学：特定状态的研究，研究了钯吸附的氧原子转化为一氧化碳所产生的二氧化碳的平移激发，并比较了吸附的氧原子和新生氧原子对一氧化碳的氧化作用钯和铂。
6. A nine-atom rhodium–aluminum oxide cluster oxidizes five carbon monoxide molecules [O] . Xiao-Na Li, Hua-Min Zhang, Zhen Yuan, -1

机译：九原子铑-氧化铝簇可氧化五个一氧化碳分子
7. Activation of carbon dioxide and carbon disulfide by a scandium N-heterocyclic carbene complex [O] . Arnold, Polly L., Marr, Isobel A., Zlatogorsky, Sergey, 2014

机译：通过钪N-杂环卡宾配合物活化二氧化碳和二硫化碳
8. Synthesis and Characterization of New Reduced Scandium Chlorides Stabilized by Interstitial Atoms [R] . Hwu, S. J. 1985

机译：间隙原子稳定新型还原氯化钪的合成与表征

Carbon Dioxide Activation by Scandium Atoms and Scandium Monoxide Molecules: Formation and Spectroscopic Characterization of ScCO3 and OCScCO3 in Solid Neon

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