TD-DFT calculations, dipole moments, and solvatochromic properties of 2-aminochromone-3-carboxaldehyde and its hydrazone derivatives† † Electronic supplementary information (ESI) available. See DOI: https://doi.org/10.1039/d3ra05081e

ABSTRACT: 2-Aminochromone-3-carboxaldehyde (ACC) and its hydrazones (ACMHCA and ACMNPHTCA) with semicarbazide hydrochloride and N-phenylthiosemicarbazide were synthesized and characterized by elemental analysis and spectral studies. The solvatochromic behavior of the title compounds in various solvents showed distinct bathochromic shifts on going from nonpolar to polar solvents, suggesting intramolecular-charge-transfer (ICT) solute–solvent interactions. The ground and excited state dipole moments of ACC, ACMHCA, and ACMNPHTCA were determined experimentally by the solvatochromic shift method using the Bilot–Kawski, Lippert–Mataga, Bakhshiev, Kawski–Chamma–Viallet functions, and a microscopic Reichardt's solvent polarity parameter (ENT). All the investigated molecules showed a substantial increase in

SUBMITTER: Adly O 

PROVIDER: S-EPMC10478642 | biostudies-literature | 2023 Sep

REPOSITORIES: biostudies-literature