Higher-lying orbitals

However, deviations from straightforward extrapolations within the Periodic Table were also considered [19]. As a consequence of relativistic effects on the electronic structure, the, v- andp-orbitals of heavy elements should shrink whereas higher lying orbitals should expand. Consequently, the two, v electrons in element 112 and also the two pm electrons in element 114 could form closed electron shells, and eka-mercury and eka-lead could both be chemically inert gases like element 118, eka-radon. 

The nature of the electronic transition is well known, because in the first absorption band the weakest bound electron is excited to the next higher lying orbital. The orbitals in H2O are known from quantum chemistry. The lower left side shows the weakest bound electrons in the so called lb. orbital, which is an almost undisturbed orbital of the 0-atom. This orbital contains two electrons. The next higher orbital is the so called kai orbital, which is very strong antibonding and symmetric to the nuclear plane. This implies that in the photodissociation of H2O in the first absorption band one of the two electrons in the Ib orbital is promoted to the unoccupied, strongly repulsive orbital, leaving an unpaired Ibj electron perpendicular... 

The absorption of the photon in the first step leads to electronic excitation of the ABC molecule. Because it takes only a very short time to absorb a photon, there is no time for the nuclei to move. This implies, that the nuclear frame of the stable ground state molecule is conserved in the excitation step. This step is essentially electronic motion an electron is promoted to a higher lying orbital. Immediately after absorption the excited molecule has therefore the same nuclear configuration as the ground state, but a very different electronic shell. 

The outstanding feature of the near resonant charge exchange considered here is that the inner-shell orbitals under study are well separated from higher-lying orbitals. As a consequence, the theoretical analysis of the near-resonant charge exchange may be restricted to a few basis states. 

If two vacancies are initially present in the higher-lying orbitals, either one or two vacancies are transferred during the collision. Let the corresponding probabilities be denoted by D and respectively. For nonrelaxed... 

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