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Calculation of the quantum yield of the photochemical isomerization reaction → methoxybutadiene methoxycyclobutene

  • Photochemistry
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Abstract

The methoxybutadiene → methoxycyclobutene photoisomerization process was simulated and the quantum yield of the product was calculated. The validity of the theoretical ideas and model concepts used in the proposed method for the calculation of quantum yields of photochemical reactions was confirmed. It was shown that the empirical parameter used in the model (broadening parameter) is stable in value and has the inherent property of transferability over a series of related molecules and analogous reactions. The cause of a substantial difference between the experimental quantum yields of reactions of the same type for a number of molecules bearing different substituents was revealed: this is a change in the form of vibrations and/or in the magnitude of structural rearrangement that directly involves the substituent.

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Authors and Affiliations

  1. Vernadsky Institute of Geochemistry and Analytical Chemistry, Russian Academy of Sciences, ul. Kosygina 19, Moscow, 119991, Russia

    V. I. Baranov, L. A. Gribov, V. E. Dridger & I. V. Mikhailov

Authors
  1. V. I. Baranov
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  2. L. A. Gribov
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  3. V. E. Dridger
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  4. I. V. Mikhailov
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Correspondence to L. A. Gribov.

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Original Russian Text © V.I. Baranov, L.A. Gribov, V.E. Dridger, I.V. Mikhailov, 2010, published in Khimiya Vysokikh Energii, 2010, Vol. 44, No. 3, pp. 209–212.

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Baranov, V.I., Gribov, L.A., Dridger, V.E. et al. Calculation of the quantum yield of the photochemical isomerization reaction → methoxybutadiene methoxycyclobutene. High Energy Chem 44, 181–184 (2010). https://doi.org/10.1134/S0018143910030045

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  • DOI: https://doi.org/10.1134/S0018143910030045

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