KVANTOVO-HIMICHESKIY RASCHETMOLEKUL 1,1-DIHLOR-2,2,3-TRIMETILCIKLOPROPANA I 1,HLOR-1-BROM-2,2-DIMETILCIKLOPROPANA METODOM AM1
Abstract and keywords
Abstract (English):
For the first time it is executed quantum chemical calculation of the molecules of 1,1-dihlor-2.2.3-trimethylcyclopropane and 1,hlor-1-brom-2,2-dimethylcyclopropane by AM1 method with optimization of geometry on all parameters. The optimized geometrical and electronic structures of these connections are received. Acid forces of 1,1-dihlor-2.2.3-trimethylcyclopropane and 1,hlor-1-brom-2,2-dimethylcyclopropane are theoretically appreciated. It is established, than it to relate to a class of very weak H-acids.

Keywords:
квантово-химический расчет, метод AM1, 1,1-дихлор-2,2,3-триметилциклопропан, 1,хлор-1-бром-2,2-диметилциклопропан, кислотная сила, quantum chemical calculation, method AM1, 1,1-dihlor-2.2.3-trimethylcyclopropane, 1,hlor-1-brom-2,2-dimethylcyclopropane, acid strength
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