V. P.

Decoding Structural and Electronic Properties of a Histidine-derived compound through Experimental and DFT Approaches

(E)-N-(4-methoxybenzylidene)-2-(1H-imidazol-4-yl)et hanamine (HA) has been synthesized and characterized using spectral studies including UV-Visible, FT-IR and NMR spectra. The optimized structure of HA is computationally constructed and theoretically studied using Gaussian 03 with the Density Functional Theory (DFT) m...