For the first time it is executed quantum chemical calculation of a molecule of butadien-1,3 and 2-methylbutadien-1,3 method MNDO with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this connection is received. Acid force of butadien-1,3 and 2-methylbutadien-1,3 is theoretically appreciated. It is established, that it to relate to a class of very weak H-acids (pKa=+35, where pKa-universal index of acidity).
квантово-химический расчет, метод MNDO, бутадиен-1,3 и 2-метилбутадиена-1,3, кислотная сила, quantum chemical calculation, method MNDO, butadien-1,3 and 2-methylbutadien-1,3, acid strength
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