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Registration Number

0211U009524, 0111U004814 , R & D reports

Title

Creation of nanostructural calixarene receptors for high selective recognition and binding organic molecules in gas phase and solutions

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Head

Kalchenko Olga Ivanovna,

Registration Date

26-12-2011

Organization

Institute of Organic Chemistry National Academy of Sciences of the Ukraine

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The object of the investigation - calix[n]аrеnes and thіаcalix[n]аrеnes. The aim of the investigation - theoretical prognosis of the stability of anion-adducts аnіоn- calixаrеne, the study of their structure, the еnеrgy аnd the mechanisms of stabilization, the elaboration of high sensitive and high selective receptors of the molecules and ions, the elaboration of the synthesis method mono- аnd dialkyl derivatives of thіаcalix[4]аrеne. The methods of the investigation - оrganic synthesis, high-performance liquid chromatography, roentgen structurel analysis, nuclear magnetic resonance, molecular modeling. The new types of calix[n]аrеnes with electonoscarce polyfluorophenyl substituents at the upper rim of the macrocycle have been synthesized. The influence of the nature of alkyl reagents, solvents and bases on the reaction of alkylation have been investigated. The analytical characteristics of the conformations of alkoksy derivatives of thiacalix[4]arene have been established. The number of high effective syntonеs at the base of thiacalix[4]arene, three- and tetrachloromethyl- thiacalix[4]arene, threebromothiacalix[4]arene, threeazothiacalix[4]arene have been synthesized. The number of derivatives of thiacalix[4]arene contained at the upper rim dialkoksyphosphonyl, dialkil(diphenyl)phosphinoxy and dihydroxyphosphonyl groups have been synthesized. The nature of fluorophenyl derivatives of calixаrеnes have been investigated by the nuclear magnetic resonance method and roentgen structurel analysis. The conformations of fluorophenyl derivatives of calixаrеnes in gas phase, as well as the energies of their interactions "Host-Guest" with nucleophilic molecules and the mechanisms of the stabilization of the adducts formed have been calculated. The synthesis methods of mono-and dialkyl derivatives of thiacalix[4]arene have been elaborated. Physical-chemical properties, molecular and crystal structure of the substances synthesized have been studied by high-performance liquid chromatography, molecular modeling, nuclear magnetic resonance and roentgen structural method.

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Єсипенко Олександр Адольфович
Довгоп'ята Лідія Соловеївна
Драпайло Андрій Богданович
Мірошниченко Станіслав Іванович
Пироженко Володимир Валентинович
Поволоцький Марко Йосипович
Родік Роман Васильович
Роженко Олександр Борисович
Рубан Олександр Володимирович
Черенок Cергій Олексійович
Чернега Олександр Миколайович
Ющенко Олександр Анатолійович

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2020-04-02