Band intensity in the IR spectra and conformations of calix[4]arene and thiacalix[4]arene |
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Authors: | Furer V L Borisoglebskaya E I Kovalenko V I |
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Affiliation: | Department of Physics, Kazan State Architect and Civil Engineering Academy, 1 Zelenaya, 420043 Kazan, Russia. furer@ksaba.ru |
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Abstract: | The experimental IR and Far IR spectra of the calix[4]arene, p-tert-butylcalix[4]arene, thialcalix[4]arene and p-tert-butylthiacalix[4]arene were examined at different temperatures and interpreted. The band frequencies and intensities in the IR spectra of the calix[4]arene and thialcalix[4]arene were calculated. The absorption curves of the four possible calix[4]arene conformations: cone, partial cone, 1,2- and 1,3-alternate were computed. The bands characteristic for each conformation are defined and assigned. The obtained spectra-structure correlation can be used for the characteristic of calixarenes conformation. |
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