Spectroscopic (FT-IR, NMR, UV-Vis, fluorescence) and DFT studies (molecular structure, IR and NMR spectral assignments, NBO and Fukui function) of Schiff bases derived from 2-chloro-3-quinolinecarboxaldehyde

2018 ◽  
Vol 59 (6) ◽  
Keyword(s):  
Molecular Structure ◽  
Schiff Bases ◽  
Fukui Function ◽  
Dft Studies ◽  
Ft Ir

scholarly journals Synthesis photophysical studies of some furfurylnitrones: high-ly selective chemosensors for Zn2+ and DFT studies

2018 ◽  
Vol 6 (1) ◽  
pp. 37 ◽  
Author(s):  
Ezhumalai Dhineshkumar ◽  
Mathivanan Iyappan ◽  
Rajendran Ganapathi ◽  
Chinnadurai Anbuselvan
Keyword(s):  
Molecular Structure ◽  
Solvent Polarity ◽  
Zinc Ion ◽  
Dft Studies ◽  
Fluorescence Sensing ◽  
1H And 13C Nmr ◽  
Ft Ir ◽  
Photophysical Studies ◽  
Polarity Parameters ◽  
Electronic Ground

New aldonitrones(1-4) were synthesized and characterized by UV-vis, fluorescence, FT-IR, 1H and 13C NMR spectral analyses. The absorption and fluorescence sensing spectra of the compounds were precise in different polarity of solvent. The solvent polarity parameters have been used to propose a quantitative approach towards the reliable stability of the electronic ground and excited state species. Photochemical behaviors of the compounds were analyzed by applying multi-linear correlation methods. The characterized compounds 1-4 show a chemosensing detection of zinc ion in aqueous solution. Besides, the fluorescence spectroscopic responses were reversible when the Zn2+chelating reagentEDTANa2.The phenomenon proves that these compounds to show a sensitivity “on-off” sensor for Zn2+.Further, to recognize the molecular structure, electronic and optical properties and DFT calculations of the molecules were formed.

The syntheses, molecular structure analyses and DFT studies on new benzil monohydrazone based Schiff bases

2018 ◽  
Vol 1162 ◽  
pp. 37-44 ◽  
Author(s):  
Gökhan Elmacı ◽  
Halil Duyar ◽  
Burcu Aydıner ◽  
Nurgül Seferoğlu ◽  
Mir Abolfazl Naziri ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Schiff Bases ◽  
Dft Studies
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