Multifaceted exploration of p-toluic acid single crystals: Structure, optics and nonlinear photonic potential M. Keerthana, R. S. Priyadharshini, M. Saravanan International Journal of Modern Physics B, 2026 This research explores the structural, optical, mechanical and nonlinear optical (NLO) properties of p-toluic acid single crystals obtained by slow evaporation. SXRD and PXRD ascertained phase purity, FTIR determined functional groups, and UV–Visible spectroscopy ascertained transparency and band gap. SEM, LDT, contact angle, chemical etching and microhardness tests evaluated morphology, stability, wettability, defects and strength. Z-scan measurements established third-order susceptibility and nonlinear refractive index. Hirshfeld and 2D fingerprint investigations revealed [Formula: see text] (38.9%), [Formula: see text]/[Formula: see text] (31.8%) and [Formula: see text] (8.5%) contacts, i.e., hydrogen bonding and [Formula: see text]–[Formula: see text] stacking. Energy framework calculations presented major dispersion forces ([Formula: see text] [Formula: see text]kJ/mol at 3.62[Formula: see text]Å) supplemented by electrostatics and polarization effects, improving mechanical strength and NLO activity.
Unveiling the hidden potential of gallic acid: A multifaceted study of its physical and optical properties M. Keerthana, R. S. Priyadharshini, M. Saravanan International Journal of Modern Physics B, 2025 With an eye toward its nonlinear optical (NLO) properties, this paper investigates the slow evaporation solution growth technique for generating fully formed organic gallic acid (GA) crystals. Single-crystal X-ray diffraction (SXRD) was utilized to study the structural characteristics, while powder X-ray diffraction (PXRD) confirmed the crystalline phase. FTIR spectroscopy found functional groups and chemical vibrations. The optical bandgap was measured and optical characteristics, including transparency in the 200–1200[Formula: see text]nm wavelength range, were investigated using UV–Vis spectroscopy. Energy dispersive X-ray (EDX) spectroscopy was used to assess the elemental composition of GA crystals; scanning electron microscopy (SEM) was used to analyze their morphology. Using thermogravimetric (TG) analysis and differential scanning calorimetry (DSC), thermal stability and degradation behavior were investigated, thereby uncovering notable transitions including gradual thermal deterioration, melting, and moisture loss. To improve understanding of the crystal formation process, theoretical models were used to calculate the nucleation parameters and controlled nucleation rate. A detailed characterization confirms the potential of GA crystals for NLO applications. The observed third-order NLO response of GA crystals is attributed to the synergistic effects of [Formula: see text]-electron delocalization, hydrogen-bonded networks, and donor–acceptor charge transfer interactions. These interactions enhance molecular polarizability, leading to a negative nonlinear refractive index (self-defocusing) and high third-order susceptibility. Such features demonstrate the suitability of GA crystals for advanced nonlinear photonic applications.
Exploring growth and enhanced functional properties of 3,4,5-trihydroxybenzoic acid crystals Keerthana M, R S Priyadharshini, M Saravanan Physica Scripta, 2025 This study investigates the Crystal growth, solubility, mechanical, and biological properties of 3,4,5-trihydroxybenzoic acid (gallic acid) single crystals, Highlighting the improvements in material properties resulting from shock wave-induced modifications. Crystals were synthesized via slow evaporation and slow cooling techniques and subsequently exposed to supersonic shock waves using a tabletop pressure-driven shock tube. Post-treatment, significant improvements were observed in various physicochemical and biofunctional characteristics. The solubility profile and metastable zone width showed a distinct temperature dependence, facilitating better control over supersaturation and optimized crystal growth. Mechanical analysis revealed increased hardness and improved thermal stability, indicating enhanced resistance to deformation. Photoelastic dispersion studies demonstrated intensified birefringence under stress, suggesting potential applications in photoelastic modulators and optical sensors. Shock-treated crystals also exhibited a higher threshold for laser-induced damage and reduced lattice defect density, confirming superior structural integrity. An enhancement in piezoelectric response was observed, indicating improved electromechanical properties. Surface wettability improved following shock exposure, as indicated by decreased contact angle measurements, while antimicrobial activity against both bacterial and fungal strains increased significantly. These findings position gallic acid as a promising multifunctional material suitable for applications in photonics, biointerfaces, and antimicrobial technologies.
Novel polymorph of 2-amino-6-methyl pyridinium-4-methyl benzoate (2A6MP4MB) single crystals: Synthesis, crystal structure, optical, spectroscopic and self-defocusing capabilities for nonlinear optical applications S. Lakshmi, M. Saravanan Journal of Nonlinear Optical Physics and Materials, 2025 By using the slow evaporation solution growth technique, the 2-amino 6-methyl pyridinium 4-methyl benzoate (2A6MP4MB) is crystallized in a single, high-quality crystal. Single crystal X-ray diffraction (SXRD) was used to determine the crystal structure. The different functional groups of the substances were identified using Fourier Transform Infrared Spectroscopy (FTIR) analysis. The 2A6MP4MB crystal exhibits a significant optical transmittance throughout the complete visible spectrum and a lowered UV cutoff wavelength, according to studies conducted using UV-Vis spectrometers. The optical band gap energy (Eg) of a single crystal of 2A6MP4MB is 4.768[Formula: see text]eV. The compound’s photoluminescence (PL) spectrum in the title illustrates the green emission technique. We analyze the produced single crystal’s dielectric tensorial behavior at various frequencies. The produced 2A6MP4MB crystal’s third-order susceptibility, nonlinear refraction, and nonlinear absorption coefficient were evaluated using the [Formula: see text]-scan technique. A Vickers hardness tester was used to assess the created crystal’s mechanical stability.
The extensive study of solubility, nucleation kinetics, surface analysis, thermal studies, dielectric properties, photoelastic, crystalline, photoluminescence behaviour of itaconic acid doped ammonium dihydrogen phosphate single crystals for nonlinear optical applications Priyadharshini R S, M Saravanan Physica Scripta, 2025 Pure ADP single crystals and ADP crystals doped with 1, 3, and 5 mol% itaconic acid (ITA) were synthesized by slow evaporation of an aqueous solution. The dielectric analysis indicated that doped ADP crystals exhibited reduced dielectric loss and enhanced dielectric constants compared to their pure crystal. Etching studies show that the crystals have a high level of perfection. ITA doping facilitates crystal growth, nucleation, and induction. The laser damage threshold of a SEST grown ITA doped ADP crystal has been examined. Solubility and metastable zone width were measured in pure ADP and ITA doped ADP samples. The effect of 1, 3, and 5 mol% itaconic acid (ITA) doping on the thermal properties of ADP single crystals grown by slow evaporation was studied. The primary emission color was determined from photoluminescence spectra, which showed an emission band at 531 nm. The Sellmeier dispersion relation and the Wemple-DiDomenico single oscillator model were used to analyze optical dispersion. The photoelastic behavior of the pure ADP and ITA doped ADP crystals was investigated, with ITA employed as a variable birefringent compensator. HRXRD analysis indicated improved crystalline quality in the pure ADP and ITA doped ADP crystal.
A noncentrosymmetric polymorph of second harmonic generation 2, 4 dinitrophenyl hydrazine for nonlinear optical applications: An experimental and theoretical investigation B. Praveen, M. Saravanan Journal of Nonlinear Optical Physics and Materials, 2025 Potent ocular materials with noncentrosymmetric frameworks seek the attention of researchers throughout the globe. A polymorph of 2,4-dinitrophenylhydrazine single crystals with such framework was grown by slow cooling mechanism with 1,4-dioxane as the solvent. The noncentrosymmetric characteristics of the grown material were confirmed by using X-ray diffraction analysis. The presence of functional groups of the title meld was identified with the aid of Fourier transform infrared spectroscopy analysis. The ability of the material to withstand temperature with weight loss and decomposition peak was determined by using TG/DTA analysis. The transmission window and optical bandgap of the materials were determined by using UV–Vis analysis. The nonlinear optical behavior of the grown crystals was determined with the aid of SHG and Z-scan analysis. The computational analysis was performed using Gaussian 09 software package to investigate various parameters of title meld. Hirshfeld surface analysis was performed using Crystal explorer 17 to quantify the intermolecular interactions of the grown material.