For the first time it is executed quantum chemical calculation of the molecules ofcyclopentadiene and 2,3-dimethylcyclopentadiene byAM1 method with optimization of geometry on all parameters. The optimized geometrical and electronic structures of these connections are received. Acid forces of cyclopentadieneand 2,3-dimethylcyclopentadiene are theoretically appreciated. It is established, than it to relate to a class of very weak H-acids.
квантово-химический расчет, метод AM1, циклопентадиен, 2,3-диметилциклопентадиен, кислотная сила, quantum chemical calculation, method AM1, cyclopentadiene, 2,3-dimethylcyclopentadiene, acid strength
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