. . "Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines" . "Z(MSM6046137301)" . . . "Imrich, Jan" . . "Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines"@en . "Fr\u00F6hlichov\u00E1, Zdenka" . "Hritzov\u00E1, Ol'ga" . "11"^^ . . "Azomethines; Ketimines; Acridonecarboxyhydrazides; NMR spectroscopy; Quantum chemical calculations"@en . "RIV/60461373:22310/09:00021770!RIV11-MSM-22310___" . "[A15B05F9E783]" . . . "Sabolov\u00E1, Danica" . "B\u00F6hm, Stanislav" . . . "2" . "NL - Nizozemsko" . "11"^^ . "Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines"@en . "Danihel, Ivan" . "22310" . "Ko\u017Eurkov\u00E1, Maria" . "Kristi\u00E1n, Pavol" . "342907" . "RIV/60461373:22310/09:00021770" . . . . "Spectroscopic, structural and theoretical studies of novel, potentially cytotoxic 4-acridonecarboxamide imines" . "Ten novel, potentially intercalating 4-acridonecarboxamide azomethines and ketimines have been prepared by the condensation reaction of 9-oxo-9,10-dihydroacridine-4-carboxylic acid hydrazide with Various aldehydes and ketones. The structures of the compounds were characterized spectroscopically by NMR (H-1, C-13, N-15 nuclei and 2D experiments), UV-vis, IR and fluorescence methods and by quantum chemical calculations using DFT at the B3LYP/6-311+G(d,p) level of theory and semiempirical ZINDO and AMI methods. NMR chemical shift variations for C-4' were assessed due to changes in the polarizability of the imine C-4'=N-3' bond rather than direct inductive effects arising from the C-4' substituents. In concert with this was the reversed order observed for the N-3' chemical shifts with DFT-calculated atomic charges confirming the bond polarization. Both intra- and intermolecular hydrogen bonds between the acridone NH hydrogen and the amidic carbonyl oxygen were found to exist by FT" . "73" . "Klika, Karel D." . "1"^^ . . . "000266429700004" . "1386-1425" . "Busov\u00E1, Tatiana" . . "Ten novel, potentially intercalating 4-acridonecarboxamide azomethines and ketimines have been prepared by the condensation reaction of 9-oxo-9,10-dihydroacridine-4-carboxylic acid hydrazide with Various aldehydes and ketones. The structures of the compounds were characterized spectroscopically by NMR (H-1, C-13, N-15 nuclei and 2D experiments), UV-vis, IR and fluorescence methods and by quantum chemical calculations using DFT at the B3LYP/6-311+G(d,p) level of theory and semiempirical ZINDO and AMI methods. NMR chemical shift variations for C-4' were assessed due to changes in the polarizability of the imine C-4'=N-3' bond rather than direct inductive effects arising from the C-4' substituents. In concert with this was the reversed order observed for the N-3' chemical shifts with DFT-calculated atomic charges confirming the bond polarization. Both intra- and intermolecular hydrogen bonds between the acridone NH hydrogen and the amidic carbonyl oxygen were found to exist by FT"@en . . "Horv\u00E1t, Branislav" . "Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy" .