Fused-aromatic chalcone derivative (Ch1) featuring donor-π-acceptor system has been synthesized via Claisen-Schmidt reaction between 9-acethylantracene and nitro benzaldehyde in a one-pot reaction system. The synthesised compound has been elucidated using selected spectroscopic and analytical technique such as Fourier-Transform Infrared (FT-IR) spectroscopy,1H and13C Nuclear Magnetic Resonance, Thermogravimetric analysis (TGA) and CHNS elemental analysis. The response of Ch1 molecule towards the detection of copper (ii) ion (Cu2+) has been investigated via the differences in UV-Vis spectra before and upon interaction with Cu2+ ion. In addition, the theoretical simulation was implemented to investigate the relationship between experimental and theoretical finding in term of interaction distance (Å) and the interaction energy (kJ/mol) occurred between the Ch1 and Cu2+ ion. The obtained results indicated that Ch1 from chalcone derivative offered promising potential as ionophore for the detection of Cu2+ ion.
