Second and third order nonlinear optical studies of a novel thiophene substituted chalcone derivative

Highlights: • 2-acetyl thiophene and 3,4,5 trimethoxy benzaldehyde were used for synthesis. • Thermal properties were studied using DSC/ TG/DTA Analysis. • Nonlinear absorption (NLA) coefficients (β ~ 10^-6 cmW^-1). • Nonlinear refractive index (NRI) (n₂ ~10^-10cm²W^-1). • Third-order NLO susceptibilities (χ⁽³⁾ ~10^-7 esu) were determined. -- Abstract: A noncentrosymmetric chalcone derivative (E)-1-(thiophen-2-yl)-3-(3, 4, 5-trimethoxyphenyl) prop-2-en-1-one (TTMP) was synthesized using Claisen Schmidt condensation approach and single crystals were grown using slow evaporation method. The grown TTMP crystals crystallizes in orthorhombic structure with Pna2₁ space group. The intermolecular interactions of the TTMP crystals were envisioned by Hirshfeld surface analysis (HSA). Further, the structural conformations of the crystal were carried out by using 1H NMR, FTIR, and FT-Raman spectral analysis. The UV–Vis–NIR spectrum of the sample clearly shows the prime transparency in the entire visible and near infrared region. Thermal studies (TG/DTA/DSC) of the TTMP sample shows excellent thermal stability and phase transition and also noticed that crystal was most stable up to 152.65 °C. The second harmonic generation efficiency was obtained for the crystals using Nd:YAG laser and is to be 1.93 times that of urea. The third order nonlinear absorption coefficient (β), nonlinear refractive index (n₂), third-order nonlinear susceptibilities (χ ⁽³⁾), second order hyper polarizability (γ_h) and optical limiting thresholds were determined by Z-scan technique using the Diode-Pumped Solid State (DPSS) Continuous Wave (CW) laser. The results suggest that the TTMP molecules are promising materials for optoelectronic device applications.