eng Oriental Scientific Publishing Company Material Science Research India 0973-3469 2020-12-30 17 3 281 293 16812 article Synthesis, Spectroscopic Characterization, Quantum Chemical Study and Antimicrobial Study of (2e) -3-(2, 6-Dichlorophenyl) -1-(4-Fluoro) -Prop-2-En-1-One Nutan V.Sadgir 1 Sunil L.Dhonnar 1 Bapu Jagdale 2 Bhagyashri Waghmare 3 Chetan Sadgir 4 Department of Chemistry, L.V.H. Arts, Science, and Commerce College, Panchavati, Nashik (M.S) India. Department of Chemistry, Arts, Science, and Commerce College, Manmad, Nashik (M.S) India. Department of Chemistry M.S.G. Arts, Science and Commerce College,Malegaon,Nashik(M.S.) India Zydus Cadila Ahmedabad,Gujrat,India

In the present work (2E) -3-(2, 6-dichlorophenyl) -1-(4-Fluoro) -prop-2-en-1-one  was Prepared  by Claisen-Schmidt condensation .Synthesized molecules were characterized by using FTIR, 1H NMR spectroscopy.Molecular geometry,Vibrational frequency of title compound were calculated using the DFT/B3LYP method with 6-311++G (d, p) basis set.The experimentally obtained FTIR spectra were in good agreement with calculated infrared spectrum.The FMO and molecular electrostatic potentialwere performed to study the reactivity of molecules at the same levelof theory. The synthesized compound shows moderate antimicrobial activity

 https://www.materialsciencejournal.org/vol17no3/synthesis-spectroscopic-characterization-quantum-chemical-study-and-antimicrobial-study-of-2e-3-2-6-dichlorophenyl-1-4-fluoro-prop-2-en-1-one/ Chalcone DFT FMO Gaussian-03 UV-Visible