A theoretical study of the effect of the molecular structure on the electronic transition probabilities after the 14Cβ-decay

Using wavefunctions from ab initio and INDO calculations, the probability that a molecule, of which a carbon atom undergoes β-decay, passes from its ground state to the ground state of the daughter ion, is studied. It is shown that the electronic part of this transition probability is almost independent of the molecular structure and of elec- tronic factors like aromaticity. Furthermore, the effect of β-decay on the electronic structure of a molecule turns out to be restricted to the direct environment of the decaying carbon atom.