
The polarographic reduction of 1,5-di(het)arylpent-2-en-4-yn-1-ones the base electrolyte of a tetra-butyl-ammonium chlorate and at different pH of the buffer systems of Britton-Robinson are considered. It is shown that the first stage of the polarographic reduction of the studied objects chalcone proceeds similarly. Relationship first half-wave potentials (E1/2) against ( t -C4H9)4NClO4descriptors (ELUMO, global and local electrophilicity) were traced. Descriptors calculated by quantum-chemical method B3PW91/6-31G (d, p). The possibility of using these descriptors to predict the potential of the first stage of the reduction of ketones was shown.
Рассмотрено полярографическое восстановление 1,5-ди(гет)арилпентен-2-ин-4-онов-1 на фоне хлората тетрабутиламмония при разных знаениях pH в буферных системах Бриттона-Робинсона. Показано, что первая стадия полярографического восстановления изучаемых объектов протекает аналогично халконам. Прослежена взаимосвязь потенциалов первой полуволны (E1/2) на фоне ( t -C4H9)4NClO4 с дескрипторами (ЕНСМО, глобальная и локальная электрофильности), рассчитанными квантово-химическим методом B3PW91/6-31G(d,p). Показана возможность использования этих дескрипторов для прогнозирования потенциалов, соответствующих первой стадии восстановления кетонов
5-ДИАРИЛПЕНТЕН-2-ИН-4-ОН-1, НЕНАСЫЩЕННЫЕ КЕТОНЫ, ПОЛЯРОГРАФИЧЕСКОЕ ВОССТАНОВЛЕНИЕ
5-ДИАРИЛПЕНТЕН-2-ИН-4-ОН-1, НЕНАСЫЩЕННЫЕ КЕТОНЫ, ПОЛЯРОГРАФИЧЕСКОЕ ВОССТАНОВЛЕНИЕ
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