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首页> 外文期刊>The journal of physical chemistry, A. Molecules, spectroscopy, kinetics, environment, & general theory >Binding Motifs for Lanthanide Hydrides: A Combined Experimental and Theoretical Study of the MH_x(H_2)_y Species (M ) La-Gd; x ) 1-4; y ) 0-6)
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Binding Motifs for Lanthanide Hydrides: A Combined Experimental and Theoretical Study of the MH_x(H_2)_y Species (M ) La-Gd; x ) 1-4; y ) 0-6)

机译：镧系元素氢化物的结合基序：MH_x（H_2）_y物种（M）La-Gd的组合实验和理论研究; x）1-4; y）0-6）

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摘要

The results of a combined spectroscopic and computational study of lanthanide hydrides with the general formula MHx(H2)y, where M ) La, Ce, Pr, Nd, Sm, Eu, and Gd, x ) 1-4, and y ) 0-6 are reported. To understand the nature of the dihydrogen complexes formed with lanthanide metal hydride molecules, we have first identified the binary MHx species formed in the ablation/deposition process and then analyzed the dihydrogen supercomplexes, MHx(H2)y. Our investigation shows that the trihydrides bind dihydrogen more weakly than the dihydrides and that the interaction between the central lanthanide and the H2 molecules occurs via a 6s electron transfer from the lanthanide to the H2 molecules. Evidence is also presented for the SmH and EuH diatomic molecules and the tetrahydride anions in solid hydrogen.
机译：通式为MHx（H2）y的镧系元素氢化物的光谱和计算研究相结合的结果，其中M）La，Ce，Pr，Nd，Sm，Eu和Gd，x）1-4和y）0 -6。为了了解与镧系金属氢化物分子形成的二氢配合物的性质，我们首先确定了在消融/沉积过程中形成的二元MHx物质，然后分析了二氢超配合物MHx（H2）y。我们的研究表明，三氢化物比二氢化物更弱地结合二氢，并且中心镧系元素和H2分子之间的相互作用是通过6s电子从镧系元素转移到H2分子而发生的。还提供了固体氢中SmH和EuH双原子分子以及四氢阴离子的证据。

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