A b i n i t i o studies of the β−-decay in OHT, NH2T, CH3T, and 14CH4
- 15 May 1977
- journal article
- research article
- Published by AIP Publishing in The Journal of Chemical Physics
- Vol. 66 (10) , 4671-4676
- https://doi.org/10.1063/1.433676
Abstract
The T→He+ β−‐decay in OHT, NH2T, and CH3T, and the 14C→N+ β−‐decay in 14CH4 are theoretically studied by ab initio SCF‐MO calculations. The ground and excited state daughters and the transition probabilities from the parent to these daughters are calculated with the basis set of the double zeta quality. The potential energy curves of these daughter ions, OHHe+, NH2He+, and CH3He+, are obtained by an ab initio SCF approximation. The correlation of the excited state daughters with the states of XHn + ions is also discussed on the basis of the conservation of the orbital symmetry. In T→He+ β−‐decay, the transition probabilities to the ground state daughters are about 0.61 for all of the parents studied. The main products in the β−‐decays of OHT, NH2T, and CH3T are found to be OH+, NH2+, and CH3+, respectively. The calculated results in CH3T are qualitatively in agreement with the experimental one, but quantitatively the calculation underestimates the production yield of the CH3 + ion. In 14CH4 decay, the transition probabilities to the ground state daughter are larger than those in T→He+ β−‐decay, and those to the excited state daughters are different from the values calculated by Raadschelders‐Buijze et al.Keywords
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