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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Photochemistry of Fe:H2O Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV–Visible Regions
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Photochemistry of Fe:H2O Adducts in Argon Matrixes: A Combined Experimental and Theoretical Study in the Mid-IR and UV–Visible Regions

机译：Fe：H 2 o加合物的氩气矩阵：中红外和UV可见区域的组合实验与理论研究

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摘要

The photochemistry of Fe:H_(2)O adducts is of interest in fields as diverse as catalysis and astrochemistry. Industrially, iron can be used as a catalyst to convert H_(2)O to H_(2), whereas in the interstellar medium it may be an important component of dust grains, influencing the chemistry on their icy surfaces. This study consisted of the deposition and spectral characterization of binary systems of atomic iron with H_(2)O in cryogenic argon matrixes. In this way, we were able to obtain information about the interaction of the two species; we observed the formation of adducts of iron monomers and dimers with water molecules in the mid-IR and UV–visible spectral domains. Upon irradiation with a UV radiation source, the iron species were inserted into the water molecules to form HFeOH and HFe_(2)OH, leading in some cases to the formation of FeO possibly accompanied by the production of H_(2). DFT and correlated multireference wave function calculations confirmed our attributions. This combination of IR and UV–visible spectroscopy with theoretical calculations allowed us to determine, for the first time, the spectral characteristics of iron adducts and their photoproducts in the UV–visible and in the OH stretching region of the mid-IR domain.
机译：Fe：H_（2）o加合物在催化作用和装载和装饰中的兴趣是兴趣的。在工业上，铁可以用作转化H_（2）O至H_（2）的催化剂，而在星际介质中，它可能是粉尘颗粒的重要组成部分，影响其冰冷的表面上的化学。该研究包括在低温氩基质中具有H_（2）O的原子铁二元系统的沉积和光谱表征。通过这种方式，我们能够获取有关两种物种的相互作用的信息;我们观察到中IR和UV可见光域中的水分子的铁单体和二聚体的加合物的形成。在用UV辐射源照射时，将铁物质插入水分子中以形成HFeOH和HFE_（2）哦，在某些情况下导致FEO的形成可能伴有H_（2）的产生。 DFT和相关的多引导波函数计算证实了我们的归属。这种IR和UV可见光谱的组合具有理论计算，使我们首次确定铁加合物的光谱特性及其在中外域的oH拉伸区域中的铁加合物和它们的光调节。

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