SPECTRAL CHARACTERISTICS OF CONFORMATION ISOMERS OF MESO-OCTAMETHYL-CALIX(4)PYRROLE BASED ON QUANTUM-CHEMICAL CALCULATIONS
2018 ◽
Vol 59
(5)
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pp. 30
Keyword(s):
The structure optimization and calculation of electronic absorption spectra of meso-octa-methylcalix(4)pyrrole conformers was performed by density- functional theory using hybrid B3LYP functional in cc-pVTZ basis set of Gaussian 09 package. Analysis of experimental UV-Vis spectra of solutions of calix(4)pyrrole was carried out in various solvents. The conclusion on the existence of a dynamic equilibrium between conformers in solutions of meso-octamethylcalix(4)pyrrole was made.
2013 ◽
Vol 117
(5)
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pp. 2245-2251
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2011 ◽
Vol 115
(47)
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pp. 13811-13820
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2019 ◽
Vol 66
(12)
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pp. 1666-1681
2006 ◽
Vol 107
(4)
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pp. 952-961
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