Das, A. published the artcileExperimental and Theoretical Studies on Molecular Structures, Nanostructural Features, and Photophysical Properties of 5-Amino-1-Alkylimidazole-4-Carboxamide Compounds, Name: 5-Amino-1-methyl-1H-imidazole-4-carboxamide, the main research area is aminoalkylimidazolecarboxamide intramol hydrogen bond charge fluorescence.
A detailed interpretation of exptl. spectral data on 1H and 13C NMR chem. shifts of compounds determined from the DFT calculation is reported. The DFT calculated values are in good agreement with the exptl. results. The NBO anal. is used to investigate the stability of 1-alkylAICA. The HOMO and LUMO anal. is performed to study the charge transfer property within the mol. as well as various mol. properties viz EHOMO, ELUMO, energy gap, ionization potential, electron affinity, electronegativity, chem. potential, electrophilicity, global hardness as well global softness, and so on. The formation of a 1D nano structure of 1-alkylAICA compounds is detected by SEM studies. The UV and fluorescence study is performed to observe the variation of their photophys. properties on going from the monomer to the nanostructure. TDDFT is applied to analyze exptl. measured absorption and emission spectra. A fluorescence life-time measurement is performed for the series of 1-AlkylAICA.
Journal of Structural Chemistry published new progress about Atomic charge. 21343-04-4 belongs to class imidazoles-derivatives, name is 5-Amino-1-methyl-1H-imidazole-4-carboxamide, and the molecular formula is C5H8N4O, Name: 5-Amino-1-methyl-1H-imidazole-4-carboxamide.
Referemce:
Imidazole – Wikipedia,
Imidazole | C3H4N2 – PubChem