Abstract:Ground state RHF/6 311G(d,p) and density functional B3LYP/6 311G(d,p) quantum chemical calculations of 4 dimethylaminochalcone (DMAC), a sensitive fluorescent probe, were carried out for vacuum and for solvents of different polarity. The effect of the medium was included by the SCRF method in the framework of the polarization continuum model. The DMAC fragment comprising the aniline and propenone groups has a nearly planar conforma tion. The phenyl group can lie in the same plane or rotate by an angle within t… Show more
“…The compound MCH shows max at 319 nm and 323 nm in DMSO and ethanol respectively. Because, the excited state is more dipolar than the ground state and the electronic transition energy decreases with increase in the polar solvent [18]. …”
“…The compound MCH shows max at 319 nm and 323 nm in DMSO and ethanol respectively. Because, the excited state is more dipolar than the ground state and the electronic transition energy decreases with increase in the polar solvent [18]. …”
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