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Inne
Self-assembly of molecules containing the 2-aminopyridine unit in non-polar solvents.
Autorzy
Rok wydania
2005
Czasopismo
Journal of Physical Organic Chemistry
Numer woluminu
18
Strony
751-762
DOI
10.1002/poc.929
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
A combined experimental and theoretical study on the self-assembly of three molecules, 2,2′-dipyridylamine, 2-(1-phenylamino)pyridine and 2-methylaminopyridine was performed. The effect of concentration increase in low-polarity solvents was investigated. The average molecular weights, dipole moments and IR spectra of these compounds were measured in C6H6, CCl4 and CHCl3. A strong association of all these molecules was found, through NH···N hydrogen bonding. The form of associates is different; in molecules containing the N-aromatic ring the aggregates have a dipole moment decreasing with concentration whereas in N-methylaminopyridine a considerable increase in dipole moment with concentration was observed. DFT B3LYP/6–31G(d,p) calculations for monomers, dimers, trimers and tetramers of these three molecules were performed to model the structures of possible aggregates.
Adres publiczny
https://doi.org/10.1002/poc.929
Strona internetowa wydawcy
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