Inorganic chemistry
Stability of Td-Distorted Be8X122+ (X = H, F) Clusters with Multicenter Bonding and Aromaticity.
Zhu-Ping Shen, Zong-Chang Han, Han-Shi Hu, Jun Li
Published: 202510.1021/acs.inorgchem.5c02603
Abstract
Beryllium bonding is intriguing because of the Be 2s22p0 valence electron configuration. Here, we explore the stability of Be8 clusters of Be8H122+ and Be8F122+. Extensive quantum-chemical studies show that these clusters have Td geometries, high the…
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