Third order nonlinear optical properties and crystal structures of (E)-1 (3,4-dimethoxyphenyl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one

Abstract

A new organic material (E)-1-(3,4-dimethoxyphenyl)-3-(4-(trifluoromethyl)phenyl)prop-2-en-1-one (DPTF), belonging to chalcone family, exhibiting third-order non-linear optical properties has been synthesised and grown as single crystals, by slow evaporation technique at room temperature. The grown crystal was subjected to single-crystal X-ray diffraction analysis in order to establish their crystal structure. The DPTF crystal belongs to the triclinic crystal system (a = 8.0368 Å, b = 10.4345 Å, c = 10.4560 Å and α = 114.1645°, β = 96.5748°, γ = 101.4285°) with centrosymmetric space group P − 1. The functional groups present in DPTF molecule were identified using FTIR spectral studies. The linear optical properties, direct and indirect transition energy gaps were determined using UV-visible spectral data. The melting point and thermal stability of DPTF have been established through thermogravimetric and differential scanning calorimetric technique. The non-linear optical properties have been studied using single-beam Z-scan technique. The coefficient of non-linear absorption and non-linear refractive index are found to be 5.11 cm/GW and −2.48 × 10 −11 esu, respectively. The DPTF molecule exhibits optical power limiting property.

Ultrafast Nonlinear Optical and Structure–Property Relationship Studies of Pyridine-Based Anthracene Chalcones Using Z-Scan, Degenerate Four-Wave Mixing, and Computational Approaches

“…By comparing the observed NLO parameters for both compounds, it is observed that 2PANC has a slightly higher nonlinearity than 3PANC experimentally, while it was found to be similar from computational studies. In this case, the higher value of 2PANC depends on the bearing of intermolecular interactions (C–H···N–C) that connect the inversion-related molecules into a side-by-side pattern, , and it is absent in 3PANC .…”