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The new organic 2-amino-5-chloropyridinium phenoxyacetate (2A5CPA) nonlinear optical (NLO) crystal was synthesized and grown from methanol solvent by slow evaporation method successfully. The complete 2A5CPA crystal structure was solved by single crystal XRD analysis and it indicates that the 2A5CPA crystal belongs to the tetragonal crystal system with the space group P41212. From the structure, the possible hydrogen bonding interactions have been analyzed. The presence of distinctive functional peaks in the 2A5CPA crystal was affirmed by FTIR analysis. The optical investigation reveals that the crystal was completely transparent in the UV–Vis–NIR region. The TG-DTA investigation assured that the 2A5CPA compound is thermally stable up to 134°C without any decomposition. The sharp endo thermic peak at 205°C in the DTA trace indicates the melting point of the crystal. The broad emissive band at 382 nm implies the violet emission characteristics of the 2A5CPA crystal. The dielectric study of the 2A5CPA crystal portrays the normal behavior to that of optical materials. The high work-hardening coefficient of 2.94 indicates the soft material nature of the crystal. The LDT value of the 2A5CPA crystal is estimated as 0.6135 GW/cm2. The third-order NLO properties of the 2A5CPA crystal were analyzed through Z-Scan experiment. [ABSTRACT FROM AUTHOR]

The novel organic single crystal 2-amino-5-chloropyridinium-trifluoroacetate (2A5CTFA) has been synthesized and grown successfully using methanol as solvent by continuous slow evaporation technique. The X-ray diffraction results reveals that the crystal 2-amino-5-chloropyridinium-trifluoroacetate crystallizes into monoclinic crystal system with the non-centrosymmetric space group Pc. The vibrational spectrum of the sample by FTIR and FT-RAMAN study confirms the characteristic functional groups of the 2A5CTFA crystal. The optical absorption spectrum shows 85% of transmittance in the entire UV-Vis-NIR region with cut-off wavelength at 345 nm. The crystal has a thermal stability of 137° C without any major weight loss in the TG curve. The photoluminescence spectrum of the crystal has a prominent violet emission peak centered at 388 nm. The dielectric behavior of the crystal measured with various frequencies at different temperatures reveals the normal behavior for optical materials. The second order NLO effect from the crystal is confirmed by the emission of green signal from the crystal upon tested with the aid of Kurtz powder analysis using Nd:YAG laser. The laser induced surface damage threshold value of the crystal is found to be 1.05 GW/cm². Overall, the outlined properties of the grown crystal makes it suitable for opto-electronic and nonlinear optical device applications. [ABSTRACT FROM AUTHOR]

Abstract: The bulk single crystal of l-arginine 4-nitrophenolate 4-nitrophenol dihydrate (LAPP), an efficient organic NLO material of size 74mm in length, 18mm in diameter, was grown successfully by Sankaranarayanan–Ramasamy (SR) method. Single crystal X-ray diffraction study reveals that LAPP crystallizes into monoclinic system with the space group P21. The unidirectional growth along the plane (110) was confirmed from the powder XRD pattern with the sharp peak having maximum intensity. Optical absorption spectrum shows that LAPP has highly transparent in the entire visible and IR region with a wide band gap of 3.9eV for large photon absorption. Vickers micro hardness measurement was performed to know the mechanical strength of the crystal. Dielectric profile of LAPP at room temperature brings forth low value of dielectric loss and dielectric constant at higher frequencies. Photoluminescence study reveals that LAPP exhibit green emission in the wavelength region 538nm. The SHG efficiency of the crystal is measured by Kurtz's powder test using Nd:YAG Laser. [Copyright &y& Elsevier]

Abstract: Single crystals of 2-furoic acid were grown by slow evaporation method within a period of 5 weeks at room temperature. The grown crystal was subjected to single crystal X-ray diffraction, UV–vis-NIR analysis, dielectric and surface analysis. The band gap energy is also calculated from UV studies. Theoretical calculations for polarizability which are useful for device fabrication are also made using Clausius–Mosotti equation and Penn analysis and their results are compared. [Copyright &y& Elsevier]

Abstract: Good quality single crystals of pure and metal ion (Ni2+) doped bis-thiourea zinc chloride (BTZC) possessing excellent nonlinear optical properties have been grown from aqueous solution by the slow solvent evaporation technique. The lattice parameters of the grown crystals are determined by single crystal X-ray analysis. The well defined sharp peaks in the powder X-ray diffraction pattern reveals the crystalline perfection and the EDAX spectrum confirms the presence of dopant in the lattice of the parent crystal. The DRS UV–visible spectral study reveals improved transparency for the doped crystal, ascertaining the inclusion of metal ion in the lattice. The optical band gap of the pure and doped crystals was calculated to be 4.8 and 5.2eV respectively from the UV transmission spectrum. The vickers hardness test brings forth higher hardness value for Ni2+doped BTZC as compared to pure BTZC crystal. The dielectric measurement exhibits very low dielectric constant and dielectric loss at higher frequencies for both the pure and Ni2+doped BTZC. The existence of second harmonic generation signals in the crystal also has been confirmed by performing the Kurtz powder test. [Copyright &y& Elsevier]

A Single crystal of 8-hydroxyquinolinium 3-carboxy-4-hydroxy benzene sulfonate monohydrate (8HQS) was grown by slow evaporation solution growth technique. The single crystal X-ray diffraction analysis shows that the grown crystal is belongs to monoclinic system with space group P2 1 /n. UV–Vis NIR study showed that the 8HQS crystal having cut-off wavelength (420 nm) and optical band gap energy (2.69 Ev). Using the Wemple and Di-Domenico single oscillator model, the oscillator energy (E o), the dispersion energy (E d) and static dielectric constant (ε o) were calculated. The emission spectrum was analysed by photoluminescence spectral studies. Thermogravimetric and differential thermal analysis shows that the grown crystal is thermally stable up to 141 °C without any weight loss. The third-order nonlinear refractive index (n 2), nonlinear optical susceptibility (χ3) and nonlinear absorption coefficient (β) were determined. The figure of merit was calculated to be 7.815 which indicates the grown crystal is good potential candidate for optical device applications. The mechanical properties were studied using Vickers microhardness analysis and it is found that the crystal was belongs to the hard material category. • Single crystal of 8HQS size upto 23 × 4 × 4 mm3 was grown by solution growth method. • The crystal shows good transparency in the visible region. • Z-scan measurements reveal that the grown crystal is a suitable candidate for nonlinear optical applications. [ABSTRACT FROM AUTHOR]

A single crystal of morpholinium oxalate (MO) was grown by the technique of slow evaporation at ambient temperature utilizing water as a solvent. Single crystal XRD reveals the MO crystal belongs to the monoclinic system with a centrosymmetric space group of P21/n. Powder XRD study demonstrates the crystalline quality. HRXRD study illustrates the crystalline perfection of the crystal and it is the key necessity for device fabrication. The optical transmittance (55%), cut-off wavelength (λ = 330 nm) and band gap energy (Eg = 2.61 eV) were determined by optical studies. Laser-induced surface damage threshold (LDT) analysis appraises the aptness of grown crystal for device fabrications and also the surface roughness of the sample was determined. The thermal stability and decomposition of the crystal were studied by thermogravimetric (TG) analysis and it was found that the material was thermally stable up to 179 °C. The various thermodynamical parameters were determined from TG analysis. The dielectric constant ɛ' and dielectric loss ɛ" divulges the electrical properties of MO crystal and the various electronic parameters were also calculated. The nonlinear optical (NLO) behavior and optical limiting property were analyzed from Z-scan technique. Microhardness measurement was executed to recognize the mechanical strength of the MO crystal and its hardness value is 1.65 kg/mm2. [ABSTRACT FROM AUTHOR]

Abstract Single crystals of 4-acetylanilinium dihydrogen phosphate (4AADP), a novel third-order nonlinear optical material has been synthesized and successfully grown by the slow evaporation solution growth technique using acetone as a solvent at room temperature. The single crystal X-ray diffraction analysis implies that 4AADP crystallized into a monoclinic crystal system with the centrosymmetric space group P 2 1 / c. The molecular structure of the grown 4AADP compound was evidently established by using 1H and 13C NMR spectral analysis. The vibrational behavior of the chemical bond and discrete functional groups of the grown crystal were identified using FT-IR and FT-Raman spectral analysis. UV–Visible-Near Infrared spectral analysis shows that the grown crystal was highly transparent in the entire visible range above 365 nm. The 4AADP compound was thermally stable up to 195 °C and it was ascertained by thermogravimetric and differential scanning calorimetric analysis. The photoactive behavior of the material was established from photoluminescence studies. The ionization energy (I) and electron affinity (A) were computed from the energy gap values of HOMO and LUMO orbitals respectively. The Molecular electrostatic potentials and Mulliken charges have also been calculated theoretically by applying DFT/B3LYP method. The nonlinear absorption coefficient (β), third order nonlinear refractive index (n 2) and third-order nonlinear optical susceptibility (χ3) were calculated from Z-scan measurements, reveals that the grown crystal of 4AADP could serve as a promising source for nonlinear optical devices. Graphical abstract Image 1 Highlights • 4-acetylanilinium dihydrogen phosphate crystallized into the monoclinic crystal system with P2 1 /c space group. • Transparency and lower cut-off wavelength of 4AADP are 65% and 365 nm respectively. • The molecular electrostatic potential and Mulliken's population analysis were computed by DFT/B3LYP/6-311++G(d,p) method. • 4AADP crystal is thermally stable up to 195 °C. • The third-order NLO susceptibility investigated from Z-scan studies shows the self-defocusing nature of the 4AADP crystal. [ABSTRACT FROM AUTHOR]

A novel organic nonlinear optical crystal, bis (4-acetylanilinium) tartrate (B4AAT) has been synthesized and successfully grown by a slow evaporation method using acetone as a solvent at ambient temperature. The single-crystal X-ray diffraction study reveals that B4AAT crystallized into a triclinic system with the noncentrosymmetric space group (P1). The crystalline perfection of the grown crystal was affirmed by the High-resolution XRD study. The characteristic functional groups with vibrational assignments and molecular structure of B4AAT were confirmed through Infrared, Raman and NMR spectroscopic analyses. UV–Vis–NIR spectral analysis of the crystal shows 69% of transmittance with a lower cut-off wavelength at 334 nm. The grown crystal was thermally stable up to 143.39 °C. The laser-induced damage threshold of the B4AAT compound was found to be 15.78 GW/cm2 for 1064 nm Nd: YAG laser radiation. The grown B4AAT possesses the low value of dielectric constant and piezoelectric charge coefficient (d 33 = 5.86 pC/N) for the supercapacitor and microelectronics industry. The size-dependent of second harmonic generation efficiency of the crystal was found to be 4.6 times higher than that of KDP. The photoluminescence and lifetime measurements of the molecules in the crystal were studied by Fluorescence spectral analysis. The third-order nonlinear optical activity estimated utilizing the Z-scan method reveals that the B4AAT possesses saturable absorption, negative nonlinearity with self-defocusing and optical limiting effect. The aforesaid results confirm that B4AAT crystal is a potential candidate for optoelectronic and nonlinear optical device applications. Image 1 • The bis (4-acetylanilinium) tartrate [C 20 H 22 N 2 O 8 ] crystallized into the triclinic system with the noncentrosymmetric space group P1. • Transparency and lower cut-off wavelength of B4AAT are 69% and 334 nm respectively. • The B4AAT has higher laser damage threshold value of15.78 GW/cm2. • TG/DTA study infers that the grown crystal was thermally stable up to 143.39 °C. • B4AAT have negative nonlinearity with self-defocusing and optical limiting effect. [ABSTRACT FROM AUTHOR]