For the first time it is executed quantum chemical calculation of somesiloxandiolmolecules (3-siloxanolcyclotri-alumoxandioltriboroxantetraol-1,1,5,5; 3- siloxanolcyclotrialumoxandioltetraboroxanpentaol-1,1,5,7,7 and 3- siloxanolcyclotrialumoxandiolpentaboroxanhexaol-1,1,5,7,9,9) by method MNDO with optimization of geometry on all parameters. The optimized geometrical and electronic structures of these connectionsare received. Acid forces of thesetriboroalumoxandiolsare theoretically appreciated. It is established, than it to relate to a class of weak H-acids (pKa=+10-11, where pKa-universal index of acidity).
квантово-химический расчет, метод MNDO, кислотная сила, 3-силоксанолциклотриалюмоксандиолтрибороксантетраол-1,1,5,5, 3-силоксанолциклотриалюмоксандиолтетрабороксанпентаол-1,1,5,7,7, 3-силоксанолциклотриалюмоксандиолпентабороксангексаол-1,1,5,7,9,9, quantum chemical calculation, method MNDO, acid strength, 3-siloxanolcyclotrialumoxandioltriboroxantetraol-1,1,5,5, 3- siloxanolcyclotrialumoxandioltetraboroxanpentaol-1,1,5,7,7, 3- siloxanolcyclotrialumoxandiolpentaboroxanhexaol-1,1,5,7,9,9
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