Ab initio topological analysis of the electronic density in proponium cations

Studies performed on proponium cations at the ab initio level show that six different stable structures can be characterized: four proponium cations a nd two van der Waals complexes. Among the proponium cations, the most stabl e structure corresponds to the C-proponium ion. Between the van der Waals c omplexes, the most stable one corresponds to the structure that results fro m the interaction between the isopropyl ion and the hydrogen molecule. The topology of the electronic density charge of the different structures is st udied, at ab initio level, using the theory of atoms in molecules (AIM) dev eloped by Bader.