Synthesis, spectroscopy and computational studies of some novel π-conjugated vinyl N-alkylated quinolinium salts and their precursor's
PBN-AR
Instytucja
Wydział Matematyki, Fizyki i Chemii (Uniwersytet Śląski w Katowicach)
Informacje podstawowe
Główny język publikacji
EN
Czasopismo
JOURNAL OF MOLECULAR STRUCTURE
ISSN
0022-2860
EISSN
Wydawca
ELSEVIER SCIENCE BV
DOI
URL
Rok publikacji
2016
Numer zeszytu
Strony od-do
416-423
Numer tomu
1106
Identyfikator DOI
Liczba arkuszy
0,4
Autorzy
Pozostali autorzy
+ 3
Słowa kluczowe
EN
Perkin condensation
Quinoline
Quinolinium salt
Spiro
Styryl dye
Styryl quinolinium salt
Vinyl quinolinium salt
Streszczenia
Język
EN
Treść
A series of π-conjugated vinyl N-methylated quinolinium salts (3) and their precursor's N-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 vinyl N-methylated quinolinium salts lead to spiro type compounds (4). The syntheses of N-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 and N-alkyl groups for both 2 and 3. 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.
Inne
System-identifier
0192700124847
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