Growth and dielectric studies of toluidine tartrate single crystals:A novel organic NLO material

The crystal of nonlinear optical (NLO) interest, organic compound Toluidine Tartrate (TT) with molecular formula C-11 H-15 N O-6 has been crystallized from solvent ethanol at room temperature using slow evaporation solution growth technique. Single crystal XRD analysis was performed and reveals that the crystal is grown with triclinic system with non centrosymmetric space group Pi. Various functional groups of the compound were analysed using FTIR and FTRaman spectral analysis. The molecular structure was confirmed by H-1 NMR study. The cut-off wavelength of the grown material is 239 nm and shows a low absorption in the near IR region. The first order hyperpolarizibility (beta(ijk)) of TT is calculated using the B3LYP/6-31G (d,P) basis set based on finite field approach. Dielectric and hardness studies were also performed. The second harmonic generation (SHG) relative efficiency was found to be 1.2 times of KDP. Thus, the characterization of the grown crystal reveals the suitability of the material for NLO applications. (C) 2020 Elsevier B.V. All rights reserved.