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首页> 外文期刊>Chemphyschem: A European journal of chemical physics and physical chemistry >Water adsorption on platinum dioxide and dioxygen complex: Matrix isolation infrared spectroscopic and theoretical study of three PtO_2-H_2O complexes
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Water adsorption on platinum dioxide and dioxygen complex: Matrix isolation infrared spectroscopic and theoretical study of three PtO_2-H_2O complexes

机译:二氧化铂和双氧配合物上的水吸附:基质分离红外光谱法和三种PtO_2-H_2O配合物的理论研究

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摘要

The interactions of water molecule with platinum dioxygen complex and dioxide molecule are investigated by means of matrix isolation infrared spectroscopy and density functional calculations. The platinum atoms reacted with dioxygen to form the previously reported Pt(O_2) complex. The Pt(O_2) complex reacted with water molecule to give the Pt(O_2)-H_2O complex, which was characterized to involve hydrogen bonding between one O atom of Pt(O_2) and one H atom of H_2O (structure A). Upon visible light irradiation, the hydrogen bonded Pt(O_2···HOH complex rearranged to another Pt(O_2)-H_2O isomer (structure B), which involves (O_2)··OH_2 interaction. The Pt(O_2)-H_2O complex in structure B can be isomerized to the weakly bound platinum dioxide-water complex (structure C) under UV irradiation.
机译:通过基质隔离红外光谱和密度泛函计算研究了水分子与铂双氧络合物和二氧化碳分子的相互作用。铂原子与双氧反应形成先前报道的Pt(O_2)络合物。 Pt(O_2)配合物与水分子反应生成Pt(O_2)-H_2O配合物,其特征在于Pt(O_2)的一个O原子与H_2O的一个H原子之间存在氢键(结构A)。在可见光照射下,氢键结合的Pt(O_2···HOH配合物)重排为另一个Pt(O_2)-H_2O异构体(结构B),涉及(O_2)··OH_2相互作用。在紫外线辐射下,结构B可以异构化为弱结合的二氧化铂-水络合物(结构C)。

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