Superatom–atom super-bonding in metallic clusters: a new look to the mystery of an Au20 pyramid†
Abstract
Using the super valence bond model, a generalized chemical picture for the electronic shells of an Au20 pyramid is given. It is found that Au20 can be viewed to be a superatomic molecule, of which its superatomic 16c–16e core (T) is in D3S hybridization bonded with four vertical Au atoms for the molecule-like (TAu4) electronic shell-closure. Based on such a superatom–atom bonding model, TX4 (X = F, Cl, or Br) are predicted to be very stable. Such a superatom–atom T–Au/T–X bonding enriches the scope of chemistry.