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Matrix isolation spectroscopic and theoretical study of carbon dioxide activation by titanium oxide molecules

机译:基质分离光谱和氧化钛分子活化二氧化碳的理论研究

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摘要

The reactions of titanium monoxide and dioxide molecules with carbon dioxide were investigated by matrix isolation infrared spectroscopy. It was found that the titanium monoxide molecule is able to activate carbon dioxide to form the titanium dioxide-carbon monoxide complex upon visible light excitation via a weakly bound TiO(η ~1-OCO) intermediate in solid neon. In contrast, the titanium dioxide molecule reacted with carbon dioxide to form the titanium monoxide-carbonate complex spontaneously on annealing. Theoretical calculations predicted that both activation processes are thermodynamically exothermic and kinetically facile.
机译:用基质隔离红外光谱法研究了一氧化钛和二氧化钛分子与二氧化碳的反应。发现一氧化钛分子能够通过固体氖中的弱结合的TiO(η〜1-OCO)中间体在可见光激发下活化二氧化碳以形成二氧化钛-一氧化碳络合物。相反,二氧化钛分子与二氧化碳在退火时自发形成一氧化钛-碳酸盐复合物。理论计算预测,两种活化过程在热力学上都是放热的,在动力学上也很容易。

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