ELEKTORONNOE I GEOMETRICHESKOE STROENIE MOLEKUL 3,5-DI(CIKLO-TRIALYUMOKSANDIOL ) TETRAALYUMOKSANTETRAOLA-1,1,7,7 I 1,7-DI(CIKLO-TRIALYUMOKSANDIOL)TETRAALYUMOKSANTETRAOLA-1,3,5,7
Abstract and keywords
Abstract (English):
For the first time it is executed quantum chemical calculation of the molecules of 3,5-di(cyclo-trialyumoxandiol) tetraalyumoxantetraol-1,1,7,7 and 1,7-di(cyclo-trialyumoxandiol)tetraalyumoxantetraol-1,3,5,7 by AM1 method with optimization of geometry on all parameters. The optimized geometrical and electronic structures of these connections are received. Acid forces of 3,5-di(cyclo-trialyumoxandiol) tetraalyumoxantetraol-1,1,7,7and 1,7-di(cyclo-trialyumoxandiol) tetraalyumoxantetraol-1,3,5,7 are theoretically appreciated. It is established that the molecules are related to class of weak H-acids.

Keywords:
квантово-химический расчет, метод AM1, 3,5-ди(цикло-триалюмоксандиол) тетраалюмоксантетраол-1,1,7,7, 1,7-ди(цикло-триалюмоксандиол)тетраалюмоксантетраол-1,3,5,7, кислотная сила, quantum chemical calculation, method AM1, 3,5-di(cyclo-trialyumoxandiol) tetraalyumoxantetraol-1,1,7,7, 1,7-di(cyclo-trialyumoxandiol) tetraalyumoxantetraol-1,3,5,7, acid strength
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