Multicenter Bonding in s-Block Metals: An Insight from Theory

Publication date: Available online 30 September 2019Source: Computational and Theoretical ChemistryAuthor(s): Amlan Jyoti Kalita, Shahnaz S. Rohman, Chayanika Kashyap, Sabnam S. Ullah, Sohel Reza, Bichitra Borah, Ankur Kanti GuhaAbstractMulticenter 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.Graphical abstract
Source: Computational and Theoretical Chemistry - Category: Chemistry Source Type: research
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