Spectral, Amplified Spontaneous Emission, and Density Functional Theory Calculations of a New Chalcone (MSPPP)

Abstract The paper reveals the spectrum and amplified spontaneous emission (ASE) features of a new Chalcone laser dye material of 1-(4-methylsulfonyl phenyl)-3-(4-N, N dimethyl amino phenyl)-2-propen-1-one (MSPPP) with the molecular formula C₁₈H₁₉NO₃S. The absorption, fluorescence, Stokes’ shift, and quantum yield were obtained using different organic solvents. The energy band gap was calculated and compared with that of 3-[4-(dimethylamino) phenyl]-1-phenyl-(2E)-propen- 1-one (DAPPP). Under suitable concentrations and pump power excitation (Nd: YAG laser 355 nm), MSPPP produced an intense ASE at 522.5 nm. Previously, we had reported that DAPPP showed optical activities that were significantly better than that of coumarin 503. The absorption spectra of MSPPP showed a wavelength band in the range 403–427 nm, whereas the fluorescence spectra exhibited a band at 472–533 nm. ASE was observed under pump pulse laser excitation, and the wavelengths were attuned from 511 to 548 nm. The molecular geometry was optimized, and their HOMO-LUMO energy values were determined by SCM Software for Chemistry & Materials using the DFTB (GGA BLYP) [Density-Functional-Based Tight-Binding] method.