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This report is a primarily survey on the chemical nature of some exoticspecies containing the positively charged muon and the muonic Helium, i.e., thenegatively charged muon plus helium nucleus, as exotic isotopes of hydrogen,using the newly developed multi-component quantum theory of atoms in molecules(MC-QTAIM) analysis, employing ab initio non-Born-Oppenhiemer wavefunctions.Accordingly, the "atoms in molecules" analysis performed on various asymmetricexotic isotopomers of hydrogen molecule, recently detected experimentally[Science 331, 448 (2011)], demonstrates that both the exotic isotopes arecapable of forming atoms in molecules and retaining the identity of hydrogenatom. Various derived properties of atomic basins containing muonic helium castno doubt that apart from its short life time, it is a heavier isotope ofhydrogen while the properties of basins containing the positively charged muonare more remote from those of the orthodox hydrogen basins, capable ofappreciable donation of electrons as well as large charge polarization;however, with some tolerance, they may be categorized also as hydrogen basinsthough with a smaller electronegativity. All in all, present study also clearlydemonstrates that the MC-QTAIM analysis is an efficient approach to decipherthe chemical nature of species containing exotic constituents, hard to beelucidated by experimental and/or alternative theoretical schemes.

physical chemistry chemical physics/pccp. physical chemistry chemical physics

Deciphering the "chemical" nature of the exotic isotopes of Hydrogen by  the MC-QTAIM analysis: The positively charged Muon and the Muonic Helium as  new members of the Periodic Table