Quasi-Chalcogen Characteristics of Al₁₂Be: A New Member of the Three-Dimensional Periodic Table

Abstract

The creative concept of superatom brings a new dimension to the conventional periodic table, which has been gradually enriched by both theoretical and experimental research. In this article, we propose a new member, namely, Al12Be, to the superatom family. The amazing similarity between the Al12Be cluster and the chalcogen elements makes the former an excellent superatom counterpart of the latter. In addition, Al12Be exhibits more exothermic first electron affinity (EA) and less endothermic second EA values due to its size advantage over the chalcogen atoms, showing the superatom superiority in this respect. The stable compounds formed between Al12Be and other atoms, such as carbon, beryllium, calcium, and lithium, provide further evidence to support the quasi-chalcogen identity of Al12Be.

The Influence of Carbon Doping on the Structures, Properties, and Stability of Beryllium Clusters

“…Since this phenomenon is more obvious for 1S and 2S molecular orbitals, the 2S level of Be 8 C is lower than, and is filled prior to, the three 1D orbitals. Notably, similar cases (namely, MO energy‐level disorder), caused by an impurity atom, has also been observed in previous studies of clusters , . As for the Be 3 C cluster, the carbon dopant also leads to a lower 2S orbital energy level than those of the 1D orbitals.…”

On the Possibility of Using the Jellium Model as a Guide To Design Bimetallic Superalkali Cations

“…Hence, the "magic" clusters containing 2,8,18,20,34, and 40 valence electrons correspond to closed-shell states, and thus, show high stability and chemical inertness. On the basis of this rule, severals uperatoms [39][40][41][42][43] have been proposed by assembling metal atoms into clustersw ithe lectronic structuresb eing near to ac losede lectronic shell. For example,t he Al 13 cluster with 39 valence electrons is one elec-tron short of ac losed-shell state, and hence, possesses ah igh electron affinity,j ust as ah alogen atom does.…”

“…[39] Twoe lectrons are neededt oc lose the electronic shells of Al 12 Be, so this cluster shows clear quasi-chalcogen characteristics. [40] Moreover, Bergeronetal. [41] demonstrated thatthe Al 14 clusterwith 42 valence electrons tends to lose two valence electrons to achieve af ull shell,a nd thereby,c ould be classified as as uperalkaline earth atom.…”

Reactions involving some gas molecules through sequestration on Al12Be cluster: An electron density based study

“…Of late, various different forms of Al 12 M (M= C, Be, Si, N, P, Co, Ni etc. ) clusters have been studied by different research groups. Each of these species demonstrates distinct physical properties.…”

“…Each of these species demonstrates distinct physical properties. For an example, Al 12 Cu cluster resembles the properties of a phosphorus atom while Al 12 Be cluster mimics the properties akin to the chalcogens . All of these recent developments open up the possibility of exploiting the unique physical properties of superatom clusters in designing new‐generation of cluster assembled materials .…”