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首页> 外文期刊>Chemistry: A European journal >Heats of Hydrogenation of Compounds Featuring Main Group Elements and with the potential for multiple Bonding
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Heats of Hydrogenation of Compounds Featuring Main Group Elements and with the potential for multiple Bonding

机译：具有主族元素并具有多重键合潜力的化合物的氢化热

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Reaction enthalpies are calculated for the hydrogenation reactions of main group hydrides with the potential for multiple bonding, and thus the unsaturated character of these species is determined. In addition to the global minimum structures, which leave in some cases no hope for even a single E-E bond (E = Group 13, 14, or 15 element), calculations are also performed for geometries with maximum potential for multiple bonding. The trends down the groups and the periods are established. Interpretations have to take several factors into account. These factors sometimes work hand in hand but also against each other. We also include in our survey the species [HGaGaH]~(2-) as a free anion and Na_2[HGaGaH] as well as their hydrogenation products [H_2GaGaH_2]~(2-) and Na_2[H_2GaGaH_2]~(2-). The results show that the presence of the Na~+ ions has a significant impact on their chemistry, and thus suggests that they are involved to a large extent in the bonding. Our results indicate that the compounds should be described as cluster compounds.
机译：计算具有多个键合潜力的主族氢化物的氢化反应的反应焓，从而确定这些物质的不饱和特性。除了全局最小结构（在某些情况下甚至对单个E-E键（E =第13、14或15个元素）也没有希望）之外，还对具有最大可能多重键合的几何形状进行了计算。确定了各组和各个时期的趋势。解释必须考虑几个因素。这些因素有时并存，但也相互影响。我们还在调查中包括了作为游离阴离子的[HGaGaH]〜（2-）和Na_2 [HGaGaH]以及它们的氢化产物[H_2GaGaH_2]〜（2-）和Na_2 [H_2GaGaH_2]〜（2-）。结果表明，Na〜+离子的存在对它们的化学性质有重要影响，因此表明它们在很大程度上参与了键合。我们的结果表明该化合物应被描述为簇状化合物。

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