Abstract
The complexes of Al13M cluster (M = Li, Na, K, Cu, Ag, Au) and Lewis bases NH3, H2O, C6H6, and HLi have been predicted and characterised. The results showed that the cluster Al13M forms the alkali-bonding or coinage metal-bonding interaction through M with these Lewis bases. These complexes exhibit some similarities and differences in the structures, properties, and nature with conventional molecules. The formation of these interactions has a negligible or small effect on the structures of Al13M. This study combines the cluster Al13M with non-covalent interactions, which is of great importance in supramolecular chemistry.
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