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- W2037312960 abstract "Abstract ( 3E , 5E )-3,5-Bis(benzylidene)-4-oxopiperidinium tetrafluoroborate [C 19 H 18 NO][BF 4 ] ( 1 ), ( 3E , 5E )-3,5-bis[4-(dimethylammonio)benzylidene]-4-oxopiperidinium bearing mixed tetrafluoroborate and bis(hexafluoro(μ-hydroxo)diborate) anions [C 23 H 30 N 3 O][B 2 F 6 OH] n [BF 4 ] m · x H 2 O ( 2 ), and ( 3E , 5E )-3,5-bis[4-(diethylammonio)benzylidene]-4-oxopiperidinium tris(tetrafluoroborate) monohydrate [C 27 H 38 N 3 O][BF 4 ] 3 ·H 2 O ( 3 ) were obtained via mediated by the boron trifluoride etherate aldol-crotonic condensation of the corresponding aldehyde and piperidin-4-one hydrochloride monohydrate. Their structures were studied by IR and multinuclear NMR spectroscopy, and single crystal X-ray diffraction. The X-ray analysis revealed the presence of monoprotonated piperidinium cation in 1 and triprotonated cations in 2 and 3 . The hexafluoro(μ-hydroxo)diborate anion was found in the mixed-anionic salts 2A and 2B which differ by the ratio of the anions. The extended hydrogen-bonded system is registered in all compounds. Static first order hyperpolarizabilities for the neutral ( 3E , 5E )-3,5-bis[4-(dimethylamino)benzylidene]-piperidin-4-one and its positively charged derivatives along with their molecular geometries and binding energy of 1 were calculated using DFT approach." @default.
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- W2037312960 date "2011-08-01" @default.
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- W2037312960 title "Experimental and theoretical structural study of (3E,5E)-3,5-bis-(benzylidene)-4-oxopiperidinium mono- and (3E,5E)-3,5-bis-(4-N,N-dialkylammonio)benzylidene)-4-oxopiperidinium trications" @default.
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- W2037312960 doi "https://doi.org/10.1016/j.molstruc.2011.06.020" @default.
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