Abstract
Quantum chemical calculations on the dissociation of LiH and LiB in the gas phase under the influence of highly concentrated solar radiation and high temperature are presented. These two molecules possess low lying excited electronic states. Thermochemical and photochemical contributions to the reaction rate are compared. With these two examples we would like to introduce some methods of quantum chemistry to the field of chemical conversion and storage of solar energy and illustrate how the mechanism and rate of a reaction can depend on molecular structure on the hand and on temperature and radiation intensity on the other hand.
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