A method for simulation of photochemical processes and calculation of quantum yields of reactions |
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| Authors: | V I Baranov L A Gribov V E Dridger M Kh Iskhakov I V Mikhailov |
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| Institution: | (1) Department of Molecular Biology, University of Salzburg, Hellbrunnerstrasse 34, 5020 Salzburg, Austria;(2) University Hospital of Internal Medicine I, Paracelsus Medical University and SALK, Muellner Hauptstrasse 48, 5020 Salzburg, Austria; |
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| Abstract: | The possibility of construction of a semiempirical method for simulation of photochemical processes and calculation of quantum
yields of reactions has been studied. The practicability of the approach was demonstrated for the o-xylene → m-xylene, m-xylene → p-xylene, m-xylene → o-xylene, and o-diethylbenzene → m-diethylbenzene photoisomerization reactions as an example. The calculated quantum yields of the reactions are in qualitative
agreement with experimental data. |
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