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Synthesis, spectroscopy and computational studies of some novel π-conjugated vinyl N-alkylated quinolinium salts and their precursor's.
Autorzy
Rok wydania
2016
Czasopismo
Journal of Molecular Structure
Numer woluminu
1106
Strony
416-423
DOI
10.1016/j.molstruc.2015.11.011
Kolekcja
Język
Angielski
Typ publikacji
Artykuł
A series of π-conjugated vinylN-methylated quinolinium salts (3) and their precursor'sN-alkylated quinolinium salts (2) were prepared and characterized by NMR, IR, UV-Vis and MS spectroscopy. It was confirmed that the hydroxyl and amino derivatives of vinylN-methylated quinolinium salts lead to spiro type compounds (4). The syntheses ofN-alkylated quinolinium salts were successful, and even multigram scale was achievable. The structures of 1,2-dimethylquinolinium iodide (2a) and 1-ethyl-2-methylquinolinium iodide (2b) were determined by single crystal X-ray diffraction method. NMR spectra showed readily diagnostic H-1 and C-13 signals from methyl andN-alkyl groups for both2and3. The geometries of the studied compounds were optimized in singlet states using the density functional theory (DFT) method with B3LYP functional. In general, the predicted bond lengths and angles are in a good agreement with the values based on the X-ray crystal structure data.
Słowa kluczowe
Quinoline, Vinyl quinolinium salt, Styryl quinolinium salt, Styryl dye, Spiro, Perkin condensation
Adres publiczny
http://dx.doi.org/10.1016/j.molstruc.2015.11.011
Strona internetowa wydawcy
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