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Multicenter bonding in s-block metals: An insight from theory
Computational and Theoretical Chemistry ( IF 2.8 ) Pub Date : 2019-09-30 , DOI: 10.1016/j.comptc.2019.112606
Amlan Jyoti Kalita , Shahnaz S. Rohman , Chayanika Kashyap , Sabnam S. Ullah , Sohel Reza , Bichitra Borah , Ankur Kanti Guha

Multicenter bonding, one of the common phenomenon in p-block as well as d-block metals, is a rare phenomenon in s-block metals. Very few examples, if not none, are there in the literature. Herein, we have proposed a 3c-2e bonding scenario involving alkaline earth metals. Different bonding analyses confirm the presence of multicenter 3c-2e bonds in these proposed compounds. All these analyses are strikingly similar as found in diborane. These proposed molecules are found to be thermodynamically stable.



中文翻译:

s块金属中多中心键合:理论的见解

多中心键合,在常见的现象一个p -嵌段以及d区金属,是在一个罕见的现象S-区金属。文献中只有很少的例子,如果没有的话。在此,我们提出了一种涉及碱土金属的3c-2e结合方案。不同的键合分析证实了这些拟议化合物中存在多中心3c-2e键。所有这些分析与乙硼烷中的发现非常相似。发现这些提出的分子是热力学稳定的。

更新日期:2019-09-30
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