Quantum-Chemical Analysis of α-Alkylacroleins Structure


Yaroslav Kovalskyi, Volodymyr Dutka, Galyna Marshalok, Natalya Vytrykush and Yosyp Yatchyshyn

The reactivity of different α-alkylacroleins has been described by semi-empirical quantum chemistry methods, their optimal geometric structure has been determined and heat of formation, as well as dipole moments of the molecules have been calculated. Theoretically calculated α-alkylacrolein parameters are in a good agreement with the experimental data presented in the literature for these compounds.

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