Growth, structural, spectral, Hirshfeld analysis, photoluminescence, linear and third order NLO properties of a novel organic p-toluidinium succinate succinic acid single crystal

• Published in: Journal of crystal growth 2022-02, Vol.580, p.126471, Article 126471
• Main Authors: Sivagami, I., Jauhar, RO. MU, Era, Paavai, Viswanathan, V., Vinitha, G., Ranjani, S., Sivanesan, T.
• Format: Article
• Language: English
• Subjects: A1. Single crystal growth; A2. Crystal structure; A3. Packing arrangement; A4. NLO materials; Ambient temperature; Crystal growth; Crystal structure; Cut off wavelength; Emission analysis; Energy gap; Functional groups; Molecular structure; Photoluminescence; Single crystals; Succinic acid
• ISSN: 0022-0248; 1873-5002
• DOI: 10.1016/j.jcrysgro.2021.126471

•A novel organic p-toluidinium succinate succinic acid crystal grown by slow evaporation procedure at ambient temperature.•Crystal Packing arrangements are displayed in the view of supramolecular architecture.•The optical band gap energy was estimated using tau’s plot and found to be 4.1 eV.•The molecular arrangements of PTSSA crystal and its protonation site were specified by using FTIR studies.•Self-defocusing and reverse saturation absorption nature of PTSSA crystal was identified by z-scan. A novel organic p-toluidinium succinate succinic acid (PTSSA) single crystal with dimensions 13 × 09 × 10 mm3 was grown at ambient temperature by slow evaporation procedure. The 3D molecular structure and cell parameters of the compound were evaluated through single crystal X-ray diffraction studies. The PTSSA crystallizes in triclinic system with centrosymmetric space group P1¯. The crystal structure was stabilized by N—H…O and O—H…O bond interactions and its supramolecular aggregation have been reported. Optical band gap energy was calculated to be 4.1 eV and procures the transparency in the visible region with low UV cut-off wavelength at 279 nm. The presence of essential functional groups was identified in the grown crystal using FTIR analysis. The title crystal structure contributes the most prominent role to the H-H interactions of about 54.1%. A photoluminescence study determines the emission spectrum of the grown crystal at the red region. The open and closed aperture curve of Z-scan setup discloses the third order NLO properties of the PTSSA crystal.