Synthesis and spectroscopic investigation of (acetylamino)pyridines

The self-association of 2- and 3-(acetylamino)pyridines in a condensed phase was investigated by conventional and linear-polarized IR spectroscopy. Interpretation of spectra of the monomer and associated forms was carried out by the reducing-difference procedure. Theoretical quantum chemical calculations at the B3LYP level of theory and with 6-31±G** basis set were performed in order to obtain the electronic structure and vibrational characteristics of both compounds.

Novel organic material with potential NLO application - electronic and spectroscopic properties

Novel dicyanoisophorone derivative, (E)-2-(3-(4-aminostyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile, is synthesized and its structure elucidated by means of conventional and linear polarized IR-spectroscopy of oriented colloids in nematic host, 1H, 13C, 1H, 1H-COSY NMR, HPLC tandem ESI MS-MS spectrometry, UV-VIS and thermal methods. Ab initio and DFT level of theory are used to theoretically obtain the electronic structure and optical properties, both in ground and exited state, of the compound.