Investigation of the structure and hydrogen bonds in adamantylcalix[6]arene by IR spectroscopy and DFTстатьяИсследовательская статья
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Дата последнего поиска статьи во внешних источниках: 5 августа 2018 г.
Аннотация:The IR spectra of p-tertbutylcalix[6]arene and adamantylcalix[6]arenes were investigated. The influence of heating and dissolution on the system of hydrogen bonds in calix[6]arenes was studied. The theoretical IR spectrum of adamantylcalix[6]arene in the conformation of a compressed cone agrees with experiment. Classification of bands in IR spectrum of adamantylcalix[6]arene was performed. Structure and strength of the H-bonding in calix[6]arenes depends on the type of substituent. In all calix[6]arenes studied, the cyclic H-bonds in the conformation of the compressed cone is realized. Under the action of adamantyl substituents, there is a convergence of oxygen atoms in the calix[6]arene molecules and the strengthening of H-bonds. Heating to a temperature of 180 °C and the dissolution of calix[6]arenes in neutral solvents does not lead to a change in their conformation.