Synthesis, crystal growth, physicochemical properties and quantum chemical investigations of a D–π–A type organic single crystal: 2-amino-5-nitropyridinium p-phenolsulfonate (2A5NPP) for nonlinear optical (NLO) applications

Sivasubramani, V.; Mohankumar, V.; Pandian, Muthu Senthil; Ramasamy, P.

doi:10.1039/c7ce01202k

Cited by 43 publications

(15 citation statements)

References 48 publications

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“…In addition, the pyridinium moiety of nitrogen acts as a strong cationic bonding site, and then the nitro group acts as a proton acceptor and amino group acts as a proton acceptor that consequently induces πconjugation in the 2A5NP molecule. 14 Moreover, the presence of the nitro group in the protonated pyridinium molecule plays a vital role in the enhancement of strong dipole-moment (D−π−A conjugation) and the noncentrosymmetric crystallization. 29 It can be observed in the literature that the molecular derivative of 2A5NP shows the zigzag or herringbone pattern through the single and multidimensional hydrogen bonding with the anions to enhance the NLO response.…”

Section: Table 3 Ftir and Ft-raman Assignments For 2a5npdp Crystalmentioning

confidence: 99%

Evaluation of Linear and Nonlinear Optical Properties of D−π–A Type 2-Amino-5-Nitropyridinium Dihydrogen Phosphate (2A5NPDP) Single Crystal Grown by the Modified Sankaranarayanan–Ramasamy (SR) Method for Terahertz Generation

Vediyappan¹,

Chaudhary

Venkatesh

et al. 2019

Crystal Growth & Design

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We report the growth process and linear and nonlinear optical characterization of high quality improvised semiorganic 2A5NPDP single crystal using the modified SR method for the first time. The major difficulties for the growth of 2A5NPDP single crystal have been resolved with the aid of a temperature lowering method. After optimization of the growth conditions, a transparent 2A5NPDP single crystal was harvested with a size of 85 mm length and 10 mm diameter over a period of 60 days. The growth rate of the modified SR method grown crystal was found to be 10 times higher than that of the conventional slow evaporation solution technique (SEST) grown crystal. The unit cell parameters of the grown crystal were ascertained by the single crystal X-ray diffraction (SXRD) and powder X-ray diffraction (PXRD) techniques. The high crystalline perfection of the crystal was ascertained by using a high-resolution X-ray diffraction (HRXRD) technique. The presence of multifarious functional groups of the 2A5NPDP crystal were confirmed by Fourier transform infrared (FT-IR) and Fourier transform Raman (FT-Raman) spectral analyses. The thermal property was assessed by the thermogravimetric (TG) and differential thermal analysis (DTA). It shows that the grown crystal withstands temperature up to 175 °C. UV–vis–NIR analysis was used to measure the linear optical property while third-order nonlinear optical properties were ascertained using Z-scan and optical limiting (OL) techniques. The optical limiting threshold of conventional method grown crystal is 5.7 mW/cm2, whereas the modified SR method grown crystal is 4.7 mW/cm2. Low value of limiting threshold indicates that the grown crystal has minimum defects. Finally, 800 nm wavelength of 140 fs at 80 MHz repetition rate obtained from a Ti:sapphire oscillator was used for the terahertz (THz) generation between 0.1 and 2.1 THz range. The efficiency of the generated THz signal was measured using another 800 nm wavelength of 40 fs, at 1 kHz repetition rate obtained from a Ti:sapphire amplifier. The generated THz signal is separated out from unconverted 800 nm using Teflon filters, and power is measured using a pyrometer. The maximum conversion efficiency of generated THz signal is on the order of 0.63 × 10–5%.

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Section: Table 3 Ftir and Ft-raman Assignments For 2a5npdp Crystalmentioning

confidence: 99%

Evaluation of Linear and Nonlinear Optical Properties of D−π–A Type 2-Amino-5-Nitropyridinium Dihydrogen Phosphate (2A5NPDP) Single Crystal Grown by the Modified Sankaranarayanan–Ramasamy (SR) Method for Terahertz Generation

Vediyappan¹,

Chaudhary

Venkatesh

et al. 2019

Crystal Growth & Design

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“…Solid state parameters such as plasma energy, Fermi energy, Penn gap energy and electronic polarizability were calculated from the molecular weight (M), number of valence electrons (Z ), density (ρ) and dielectric constant (ε) of the title crystal. These values help in analysing the polarizability and electrical properties of the material [9]. The molecular density (ρ) of the title crystal was calculated using the equation 2:…”

Section: Solid State Parametersmentioning

confidence: 99%

Discussion on growth, emission and piezoelectric properties of zinc guanidinium phosphate single crystal: a potential candidate for transducer and LED applications

Nandhini¹,

Murugakoothan²

2019

Bull Mater Sci

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Zinc guanidinium phosphate, a semi-organic single crystal, was grown successfully by a slow evaporation solution growth technique. The cell parameters of the grown crystal were confirmed using a powder X-ray diffraction study. The electrical property of the sample was analysed using dielectric and piezoelectric studies. The dielectric constant, dielectric loss and alternating-current conductivity were calculated for various frequencies and temperatures. The solid state parameters such as plasma energy, Penn gap energy, Fermi energy and electronic polarizability were calculated. The piezoelectric property of the title crystal was ascertained by determining its piezoelectric charge coefficient (d 33). The optical transmittance and energy gap of the grown crystal were examined using ultraviolet-visible-near-infrared spectral analysis. The title molecule was optimized and the frontier molecular orbital was performed using B3LYP/6-31 + G(2d,2p). The emission property of the titular compound was analysed using a photoluminescence study. The dominant colour emission of the grown crystal was found using CIE colour chromaticity coordinates. The nonlinear property of the titular compound was confirmed using a Kurtz-Perry powder technique. The above results illustrate that the title crystal is a potential candidate for light emitting and nonlinear applications. This work explains the dominant colour emitting behaviour and electrical properties such as dielectric and piezoelectric properties of the title crystal, which are reported for the first time.

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“…For example, in conventional or linear optics, the dipole moment per unit volume of a substance (the dielectric polarization) depends on the strength of the applied optical eld. [5][6][7][8][9] For the past few decades, nonlinear optical (NLO) materials have earned great attention in the eld of photonics because of their vast applications in LASER, LED, optical display, biosensors, scanners and telecommunication and other elds of photonics. 6,[10][11][12][13][14] Due to their unique properties of producing new electric and magnetic elds, a large number of NLO materials are produced.…”

Section: Introductionmentioning

confidence: 99%

“…For example, in conventional or linear optics, the dipole moment per unit volume of a substance (the dielectric polarization) depends on the strength of the applied optical field. 5–9 …”

Section: Introductionmentioning

confidence: 99%

DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

et al. 2021

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Synthesis, crystal growth, physicochemical properties and quantum chemical investigations of a D–π–A type organic single crystal: 2-amino-5-nitropyridinium p-phenolsulfonate (2A5NPP) for nonlinear optical (NLO) applications

Abstract: Efficient organic NLO 2A5NPP single crystals have been grown by slow cooling method.

Cited by 43 publications

References 48 publications

Evaluation of Linear and Nonlinear Optical Properties of D−π–A Type 2-Amino-5-Nitropyridinium Dihydrogen Phosphate (2A5NPDP) Single Crystal Grown by the Modified Sankaranarayanan–Ramasamy (SR) Method for Terahertz Generation

Evaluation of Linear and Nonlinear Optical Properties of D−π–A Type 2-Amino-5-Nitropyridinium Dihydrogen Phosphate (2A5NPDP) Single Crystal Grown by the Modified Sankaranarayanan–Ramasamy (SR) Method for Terahertz Generation

Discussion on growth, emission and piezoelectric properties of zinc guanidinium phosphate single crystal: a potential candidate for transducer and LED applications

DFT study of superhalogen and superalkali doped graphitic carbon nitride and its non-linear optical properties

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