For the first time it is executed quantum chemical calculation of a molecule of tetracene, pentacene method MNDO with optimization of geometry on all parameters. The optimized geometrical and electronic structure of this connection is received. Acid force of these molecules is theoretically appreciated. It is established, that it to relate to a class of very weak H-acids ( рКа =33 where pKa-universal index of acidity).
квантово-химический расчет, метод MNDO, тетрацен, пентацен, кислотная сила, quantum chemical calculation, method MNDO, tetracene, pentacene, acid strength
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