Mohd Mehkoom | Aligarh Muslim University (original) (raw)

Papers by Mohd Mehkoom

Research paper thumbnail of Hirshfeld surface analysis, experimental and theoretical evaluation of a new monohydrated organic salt of 2-amino-4-hydroxy-6-methylpyrimidine (AHMP) and 4-acetamidobenzoic acid (AMBA) for nonlinear optical applications

Journal of molecular structure, May 1, 2024

Research paper thumbnail of CCDC 2099124: Experimental Crystal Structure Determination

The Cambridge Structural Database, 2022

Research paper thumbnail of Saturable to reverse saturable absorption switching in dicyanomethylene-4H-pyran derivatives with their photophysical and nonlinear optical investigation

Materials Science in Semiconductor Processing, Feb 29, 2024

Research paper thumbnail of A newly synthesized organic chromophore (HCzN) showing optical linear and nonlinear response for potential in photonic applications

Research Square (Research Square), Jan 3, 2023

The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'... more The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'-(hexane-1,6-diylbis(9H-carbazole-9,3-diyl))bis(ethene-1,1,2-tricarbonitrile (HCzN). We have synthesized this molecule and the structure of this molecule has been con rmed via IR and NMR spectroscopies. The linear optical study has been done with the help of UV-Vis absorption and emission spectroscopies and we have measured the refractive index (n 0), and optical bandgap (E g) for this chromophore. We have explored the third-order nonlinear optical (NLO) characteristics of HCzN at the concentrations of 1, 2, 3, and 4 mM employing both closed and open-aperture Z-scan methods at 25 mW laser power. This chromophore evinces the self-defocusing and saturable absorption nature for closed and open aperture scans respectively. The calculated NLO parameters like the coe cient of nonlinear absorption (β) and refraction (n 2) are found to be of the order of 10 − 6 cm 2 /W and 10 − 3 cm/W respectively with the nonlinear optical susceptibility (χ (3)), and hyperpolarizability (γ) of the order of 10 − 5 esu, and 10-27 esu respectively. The magnitude of NLO parameters varies linearly with concentration.

Research paper thumbnail of Sol-gel synthesis of ZrFeO3 nanoparticles and study of optical nonlinearity and multiferroicity of its nanocrystalline thin films

Journal of Sol-Gel Science and Technology, Jun 10, 2023

Research paper thumbnail of A newly synthesized organic chromophore (HCzN) showing optical linear and nonlinear response for potential in photonic applications

The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2&... more The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'-(hexane-1,6-diylbis(9H-carbazole-9,3-diyl))bis(ethene-1,1,2-tricarbonitrile (HCzN). We have synthesized this molecule and the structure of this molecule has been confirmed via IR and NMR spectroscopies. The linear optical study has been done with the help of UV-Vis absorption and emission spectroscopies and we have measured the refractive index (n0), and optical bandgap (Eg) for this chromophore. We have explored the third-order nonlinear optical (NLO) characteristics of HCzN at the concentrations of 1, 2, 3, and 4 mM employing both closed and open-aperture Z-scan methods at 25 mW laser power. This chromophore evinces the self-defocusing and saturable absorption nature for closed and open aperture scans respectively. The calculated NLO parameters like the coefficient of nonlinear absorption (β) and refraction (n2) are found to be of the order of 10− 6 cm2/W and 10− 3 cm/W respective...

Research paper thumbnail of Synthesis of a novel organic chromophore (HCzN) for photophysical and nonlinear optical response showing its potential in photonic applications

Optical and Quantum Electronics

Research paper thumbnail of Studying the Symphonizing Effect of NLO Properties in Hydrated and Non-hydrated Donor Acceptor Complexes Formed Via Charge Transfer

Research paper thumbnail of Third-order optical nonlinearity and multiferroicity of nanoparticles thin films of isovalent rare earth Y3+ ion substituted BiFeO3

Physica B: Condensed Matter

Research paper thumbnail of Molecular structure tuning impact on optical linearity and nonlinearity of novel push-pull conjugated organic systems for photonic applications

Journal of Molecular Structure

Research paper thumbnail of Nonlinear optical characterization and optical limiting of silver nanoparticles embedded polystyrene foils

Journal of Materials Science: Materials in Electronics

Research paper thumbnail of The new pyrazoline derivative 5‐(3,4-Dimethoxy‐phenyl)‐3‐(2,5‐dimethyl‐thiophene‐3‐yl),‐4,5‐dihydro‐pyrazole‐1‐carbothioic acid amide (DDPA) as an advisable candidate for optical linearity, nonlinearity, and limiting performance

Journal of Molecular Liquids, 2021

Abstract The present report provides the linear and nonlinear optical studies of a pyrazoline der... more Abstract The present report provides the linear and nonlinear optical studies of a pyrazoline derivative, 5‐(3,4-Dimethoxy‐phenyl)‐3‐(2,5‐dimethyl‐thiophene‐3‐yl),‐4,5‐dihydro‐pyrazole‐1‐carbothioic acid amide (DDPA). The UV–Vis absorption and emission spectra have been recorded and analyzed to estimate the linear optical characteristics. The linear optical properties like absorption coefficient (α0), refractive index (n0), extinction coefficient (K), optical conductivity (σ opt), and optical band gap (Eg) have been evaluated. The third-order nonlinear optical (NLO) properties have been examined using the Z-scan technique employing the continuous wave (CW) diode laser of 520 nm. The third-order nonlinear refractive index (n2), nonlinear absorption coefficient (β), nonlinear optical susceptibility (χ (3)), and the second-order hyperpolarizability (γ) have been enumerated for different dye solution concentrations as well as for several laser powers. The values of β, n2, χ (3), and γ were found to be of the order of 10−3 cm/W, 10−7 cm2/W, 10−6 esu, and 10−26 esu respectively. Furthermore, the compound DDPA has been screened by the same laser excitation for the optical limiting behavior and found to be exhibiting good agreement for this nature. Hence the compound DDPA reveals its potential applications for optical switching, optical communication, and optical data storage devices.

Research paper thumbnail of Synthesis, Crystal Structure, Characterization, Hirshfeld Analysis, Molecular Docking and DFT Calculations of 5-Phenylamino-Isophthalic Acid: A Good NLO Material

Journal of Molecular Structure

5-Phenylamino-isophthalic acid (H 2 L) (C 15 H 13 NO 4) has been synthesized, characterized via s... more 5-Phenylamino-isophthalic acid (H 2 L) (C 15 H 13 NO 4) has been synthesized, characterized via single-crystal X-ray diffraction, spectroscopic techniques and also studied theoretically using DFT approach. The compound crystallizes in a monoclinic crystal system with a P2 1 /c space group with Z = 2 and the following unit cell dimensions: a = 10.4415(14) Å , b = 16.472(2) Å , c = 7.5305(10) Å. DFT calculations were carried out by B3LYP/6-311 ++ G(d,p) level and geometry optimization, vibrational analysis, MEP, ELF, NBO, NHO, and FMO analysis were also carried out. The calculated values showed excellent agreement with the experimental data. The vibrational frequencies were evaluated using density functional theory (DFT) with the complete PED analysis. The Molecular Frontiers Orbitals (FMO) or HOMO/LUMO energy values showed that there wasa satisfying interchange of charge occurring within the molecule. Hirshfeld surface analysis was carried out to study 3-D and 2-D interactions in crystal. Molecular docking was done with 4 protein receptors to find the best ligand-protein interactions. The nonlinear optical characteristics of the title compound have been evaluated using the Z-scan method with CW diode laser working at 520 nm. The third-order nonlinear refraction coefficient (n 2), nonlinear absorption (β), nonlinear susceptibility χ (3) , and second-order hyperpolarizability (γ) are of the order of 10 −8 cm 2 / W, 10 −3 cm/ W, 10 −7 esu, and 10 −27 esu, respectively.

Research paper thumbnail of Intramolecular charge transfer-based linear and nonlinear optical properties of a D–π–A–π–D type organic chromophore: Experimental and computational approach

Journal of Nonlinear Optical Physics & Materials

In the sight of the present demand of scientific exploration in nonlinear optics (NLO), we synthe... more In the sight of the present demand of scientific exploration in nonlinear optics (NLO), we synthesized a symmetric donor–[Formula: see text]–acceptor–[Formula: see text]–donor (D–[Formula: see text]–A–[Formula: see text]–D) type organic chromophore [2-[2,6-di((E)-styryl)]-4H-pyran-4-ylidene]malononitrile (M1) for linear and nonlinear optical studies. The structural character of the compound M1 was confirmed using 1H NMR, [Formula: see text]C NMR, and IR spectroscopy. The intramolecular charge transfer (ICT) in molecule M1 has been analyzed using absorption and fluorescence spectrometry in different nonpolar and polar solvents. The optical bandgap, optical conductivity, and linear refractive index of M1 were also calculated using UV–Vis absorption spectrum in CHCl3. The thermogravimetric analysis (TGA) was also carried out to check the thermal stability of the compound M1 and it was found to be thermally stable up to 200∘C. Furthermore, the third-order optical nonlinearity in M1 has ...

Research paper thumbnail of Z-scan screening of proton-shifted monohydrated organic salt: the linear, nonlinear, and optical limiting characteristics for photonic applications

Journal of Materials Science: Materials in Electronics

In the present decade, the advancement in photonic applications has stimulated the scientific com... more In the present decade, the advancement in photonic applications has stimulated the scientific community to explore nonlinear optical characteristics of optical materials. The present report on the synthesized proton-shifted monohydrated organic salt (ABMPP) of 2-Amino-5-bromo-6-methyl-4-pyrimidinol (ABMP) and 2,3-pyrazinedicarboxylic acid (PDCA) explores the linear and nonlinear optical (NLO) characteristics. The linear optical characteristics of ABMPP dissolved in DMSO have been investigated using the recorded absorption and photoluminescence spectra. In addition, the 1 H-NMR analysis has been executed for structural characteristics. The third-order nonlinear optical characteristics of the sample have been measured using the Z-scan technique with a 520 nm laser beam of CW diode laser. The coefficients of nonlinear absorption (b), nonlinear refraction (n 2) with nonlinear optical susceptibility, v (3) , and second-order hyperpolarizability (c) have been estimated for various solution concentrations and laser powers. The evaluated b, n 2 , v (3) , and c are found to be of the order of 10-4 cm/W, 10-8 cm 2 /W, 10-6 esu, and 10-26 esu, respectively, and these parameters vary linearly with solution concentration as well as laser power. The NLO performance of the ABMPP compound reveals its potential in photonic and optoelectronic applications. Furthermore, the compound has been also assayed for optical limiting characteristics with the same radiation and it shows comparatively better limiting performance. Hence this material could be a viable candidate for optical limiting devices.

Research paper thumbnail of Experimental and computational investigation of novel dihydrated organic single crystal of 2,4,6-triaminopyrimidine and 3,5-dintrobenzoic acid: Linear and nonlinear optical response with limiting performance

Journal of Solid State Chemistry

Research paper thumbnail of A Proton‐Transfer Complex Containing 5‐Hydroxy‐isophthalic Acid with 3,3′‐(Piperazine‐1,4‐diylbis (methylene)) Dibenzonitrile: Structural Topology, Hirshfeld Analysis, NLO, and DFT Studies

ChemistrySelect

This work focuses on the study of a proton-transfer complex (1) of 5-hydroxy-isophthalic acid (H... more This work focuses on the study of a proton-transfer complex (1)
of 5-hydroxy-isophthalic acid (HIPA) and 3,3’-(piperazine-1,4-
dilbit(methylene)) dibenzonitrile (PBN). The single-crystal XRD
reveals that the HIPA and PBN molecules in complex (1) are
mutually connected through intricate N+ H O H-bonding
interactions. Herein, close and open aperture measurements for
the third-order nonlinear optical response of the complex (1)
has been investigated using the Z-scan technique which shows
its potential application in optoelectronic and photonic devices.
Further, DFT calculations have been done for the HOMO-LUMO
energy gap and Mulliken atomic charge analysis which helps us
to understand the proton-transfer mechanism in the complex
(1). The topological and Hirshfeld surface analysis were also
achieved to understand the importance of non-covalent
interactions in the stability of the supramolecular structure and
NLO properties.

Research paper thumbnail of Crystal Structure, Topological and Hirshfeld Surface Analysis of a Zn(II) Zwitterionic Schiff Base Complex Exhibiting Nonlinear Optical (NLO) Properties Using Z-Scan Technique

Crystals

A mononuclear Zn(II) complex of (Zn(H2L) (CH3OH) Cl2) (1) has been synthesized by using a nonline... more A mononuclear Zn(II) complex of (Zn(H2L) (CH3OH) Cl2) (1) has been synthesized by using a nonlinear optically active Zwitterionic Schiff base which is 4-((2-hydroxy-3-methoxybenzylidene) amino) benzoic acid (H2L). Complex 1 has been structurally analyzed by FTIR and UV spectroscopy, TGA, Powder-XRD and single crystal X-ray diffraction. X-Ray crystallographic studies revealed Zn(II) complex crystallizes in a P21/c space group and exists in a distorted trigonal bipyramidal geometry (τ = 0.68). The topological analysis of complex 1 showed that the underlying net is characterized by an unknown topological type and point symbol {342.468.510}, and multilevel analysis of complex packing as dimer gives a 18-c uninodal net with unknown topological type and point symbol {348.499.56}. The calculation results of a Hirshfeld surface analysis have been investigated to explore the H-bonding within the crystal. Third-order non-linear properties were also studied, which revealed that the lower input...

Research paper thumbnail of Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration

ACS Omega

A Schiff base, namely, 4-[(2-hydroxy-3-methoxybenzylidene) amino] benzoic acid (L1), has been syn... more A Schiff base, namely, 4-[(2-hydroxy-3-methoxybenzylidene) amino] benzoic acid (L1), has been synthesized by the condensation reaction. It has been characterized by Fourier transform infrared spectroscopy , UV−vis spectroscopy, single-crystal Xray diffraction, and DFT/B3LYP calculations. Single-crystal X-ray crystallographic analysis revealed that L1 exists in the zwitterionic (N−H•••...O) form. The supramolecular interactions were investigated by Hirshfeld surface analysis. In addition, third-order nonlinear optical (NLO) properties of L1 were also investigated. The nonlinear refractive index (n 2), nonlinear absorption coefficient (β), and the third-order NLO susceptibility (χ (3)) have been estimated at different concentrations and at different laser powers using close and openaperture Z-scan data. The values of the parameters were found to be varying almost linearly with concentration and power. The present study revealed the utility of the material for various optoelectronic devices such as optical switches, optical data storage devices, and optical sensors. The optical limiting study reveals that this material can also be exploited as an instrument protector from unwanted laser illumination. Furthermore, the NLO behavior of L1 has also been studied by B3LYP/ 6-311++G(d,p) results.

Research paper thumbnail of Hirshfeld surface analysis, experimental and theoretical evaluation of a new monohydrated organic salt of 2-amino-4-hydroxy-6-methylpyrimidine (AHMP) and 4-acetamidobenzoic acid (AMBA) for nonlinear optical applications

Journal of molecular structure, May 1, 2024

Research paper thumbnail of CCDC 2099124: Experimental Crystal Structure Determination

The Cambridge Structural Database, 2022

Research paper thumbnail of Saturable to reverse saturable absorption switching in dicyanomethylene-4H-pyran derivatives with their photophysical and nonlinear optical investigation

Materials Science in Semiconductor Processing, Feb 29, 2024

Research paper thumbnail of A newly synthesized organic chromophore (HCzN) showing optical linear and nonlinear response for potential in photonic applications

Research Square (Research Square), Jan 3, 2023

The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'... more The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'-(hexane-1,6-diylbis(9H-carbazole-9,3-diyl))bis(ethene-1,1,2-tricarbonitrile (HCzN). We have synthesized this molecule and the structure of this molecule has been con rmed via IR and NMR spectroscopies. The linear optical study has been done with the help of UV-Vis absorption and emission spectroscopies and we have measured the refractive index (n 0), and optical bandgap (E g) for this chromophore. We have explored the third-order nonlinear optical (NLO) characteristics of HCzN at the concentrations of 1, 2, 3, and 4 mM employing both closed and open-aperture Z-scan methods at 25 mW laser power. This chromophore evinces the self-defocusing and saturable absorption nature for closed and open aperture scans respectively. The calculated NLO parameters like the coe cient of nonlinear absorption (β) and refraction (n 2) are found to be of the order of 10 − 6 cm 2 /W and 10 − 3 cm/W respectively with the nonlinear optical susceptibility (χ (3)), and hyperpolarizability (γ) of the order of 10 − 5 esu, and 10-27 esu respectively. The magnitude of NLO parameters varies linearly with concentration.

Research paper thumbnail of Sol-gel synthesis of ZrFeO3 nanoparticles and study of optical nonlinearity and multiferroicity of its nanocrystalline thin films

Journal of Sol-Gel Science and Technology, Jun 10, 2023

Research paper thumbnail of A newly synthesized organic chromophore (HCzN) showing optical linear and nonlinear response for potential in photonic applications

The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2&... more The present article demonstrates the optical linear and nonlinear studies of the chromophore 2,2'-(hexane-1,6-diylbis(9H-carbazole-9,3-diyl))bis(ethene-1,1,2-tricarbonitrile (HCzN). We have synthesized this molecule and the structure of this molecule has been confirmed via IR and NMR spectroscopies. The linear optical study has been done with the help of UV-Vis absorption and emission spectroscopies and we have measured the refractive index (n0), and optical bandgap (Eg) for this chromophore. We have explored the third-order nonlinear optical (NLO) characteristics of HCzN at the concentrations of 1, 2, 3, and 4 mM employing both closed and open-aperture Z-scan methods at 25 mW laser power. This chromophore evinces the self-defocusing and saturable absorption nature for closed and open aperture scans respectively. The calculated NLO parameters like the coefficient of nonlinear absorption (β) and refraction (n2) are found to be of the order of 10− 6 cm2/W and 10− 3 cm/W respective...

Research paper thumbnail of Synthesis of a novel organic chromophore (HCzN) for photophysical and nonlinear optical response showing its potential in photonic applications

Optical and Quantum Electronics

Research paper thumbnail of Studying the Symphonizing Effect of NLO Properties in Hydrated and Non-hydrated Donor Acceptor Complexes Formed Via Charge Transfer

Research paper thumbnail of Third-order optical nonlinearity and multiferroicity of nanoparticles thin films of isovalent rare earth Y3+ ion substituted BiFeO3

Physica B: Condensed Matter

Research paper thumbnail of Molecular structure tuning impact on optical linearity and nonlinearity of novel push-pull conjugated organic systems for photonic applications

Journal of Molecular Structure

Research paper thumbnail of Nonlinear optical characterization and optical limiting of silver nanoparticles embedded polystyrene foils

Journal of Materials Science: Materials in Electronics

Research paper thumbnail of The new pyrazoline derivative 5‐(3,4-Dimethoxy‐phenyl)‐3‐(2,5‐dimethyl‐thiophene‐3‐yl),‐4,5‐dihydro‐pyrazole‐1‐carbothioic acid amide (DDPA) as an advisable candidate for optical linearity, nonlinearity, and limiting performance

Journal of Molecular Liquids, 2021

Abstract The present report provides the linear and nonlinear optical studies of a pyrazoline der... more Abstract The present report provides the linear and nonlinear optical studies of a pyrazoline derivative, 5‐(3,4-Dimethoxy‐phenyl)‐3‐(2,5‐dimethyl‐thiophene‐3‐yl),‐4,5‐dihydro‐pyrazole‐1‐carbothioic acid amide (DDPA). The UV–Vis absorption and emission spectra have been recorded and analyzed to estimate the linear optical characteristics. The linear optical properties like absorption coefficient (α0), refractive index (n0), extinction coefficient (K), optical conductivity (σ opt), and optical band gap (Eg) have been evaluated. The third-order nonlinear optical (NLO) properties have been examined using the Z-scan technique employing the continuous wave (CW) diode laser of 520 nm. The third-order nonlinear refractive index (n2), nonlinear absorption coefficient (β), nonlinear optical susceptibility (χ (3)), and the second-order hyperpolarizability (γ) have been enumerated for different dye solution concentrations as well as for several laser powers. The values of β, n2, χ (3), and γ were found to be of the order of 10−3 cm/W, 10−7 cm2/W, 10−6 esu, and 10−26 esu respectively. Furthermore, the compound DDPA has been screened by the same laser excitation for the optical limiting behavior and found to be exhibiting good agreement for this nature. Hence the compound DDPA reveals its potential applications for optical switching, optical communication, and optical data storage devices.

Research paper thumbnail of Synthesis, Crystal Structure, Characterization, Hirshfeld Analysis, Molecular Docking and DFT Calculations of 5-Phenylamino-Isophthalic Acid: A Good NLO Material

Journal of Molecular Structure

5-Phenylamino-isophthalic acid (H 2 L) (C 15 H 13 NO 4) has been synthesized, characterized via s... more 5-Phenylamino-isophthalic acid (H 2 L) (C 15 H 13 NO 4) has been synthesized, characterized via single-crystal X-ray diffraction, spectroscopic techniques and also studied theoretically using DFT approach. The compound crystallizes in a monoclinic crystal system with a P2 1 /c space group with Z = 2 and the following unit cell dimensions: a = 10.4415(14) Å , b = 16.472(2) Å , c = 7.5305(10) Å. DFT calculations were carried out by B3LYP/6-311 ++ G(d,p) level and geometry optimization, vibrational analysis, MEP, ELF, NBO, NHO, and FMO analysis were also carried out. The calculated values showed excellent agreement with the experimental data. The vibrational frequencies were evaluated using density functional theory (DFT) with the complete PED analysis. The Molecular Frontiers Orbitals (FMO) or HOMO/LUMO energy values showed that there wasa satisfying interchange of charge occurring within the molecule. Hirshfeld surface analysis was carried out to study 3-D and 2-D interactions in crystal. Molecular docking was done with 4 protein receptors to find the best ligand-protein interactions. The nonlinear optical characteristics of the title compound have been evaluated using the Z-scan method with CW diode laser working at 520 nm. The third-order nonlinear refraction coefficient (n 2), nonlinear absorption (β), nonlinear susceptibility χ (3) , and second-order hyperpolarizability (γ) are of the order of 10 −8 cm 2 / W, 10 −3 cm/ W, 10 −7 esu, and 10 −27 esu, respectively.

Research paper thumbnail of Intramolecular charge transfer-based linear and nonlinear optical properties of a D–π–A–π–D type organic chromophore: Experimental and computational approach

Journal of Nonlinear Optical Physics & Materials

In the sight of the present demand of scientific exploration in nonlinear optics (NLO), we synthe... more In the sight of the present demand of scientific exploration in nonlinear optics (NLO), we synthesized a symmetric donor–[Formula: see text]–acceptor–[Formula: see text]–donor (D–[Formula: see text]–A–[Formula: see text]–D) type organic chromophore [2-[2,6-di((E)-styryl)]-4H-pyran-4-ylidene]malononitrile (M1) for linear and nonlinear optical studies. The structural character of the compound M1 was confirmed using 1H NMR, [Formula: see text]C NMR, and IR spectroscopy. The intramolecular charge transfer (ICT) in molecule M1 has been analyzed using absorption and fluorescence spectrometry in different nonpolar and polar solvents. The optical bandgap, optical conductivity, and linear refractive index of M1 were also calculated using UV–Vis absorption spectrum in CHCl3. The thermogravimetric analysis (TGA) was also carried out to check the thermal stability of the compound M1 and it was found to be thermally stable up to 200∘C. Furthermore, the third-order optical nonlinearity in M1 has ...

Research paper thumbnail of Z-scan screening of proton-shifted monohydrated organic salt: the linear, nonlinear, and optical limiting characteristics for photonic applications

Journal of Materials Science: Materials in Electronics

In the present decade, the advancement in photonic applications has stimulated the scientific com... more In the present decade, the advancement in photonic applications has stimulated the scientific community to explore nonlinear optical characteristics of optical materials. The present report on the synthesized proton-shifted monohydrated organic salt (ABMPP) of 2-Amino-5-bromo-6-methyl-4-pyrimidinol (ABMP) and 2,3-pyrazinedicarboxylic acid (PDCA) explores the linear and nonlinear optical (NLO) characteristics. The linear optical characteristics of ABMPP dissolved in DMSO have been investigated using the recorded absorption and photoluminescence spectra. In addition, the 1 H-NMR analysis has been executed for structural characteristics. The third-order nonlinear optical characteristics of the sample have been measured using the Z-scan technique with a 520 nm laser beam of CW diode laser. The coefficients of nonlinear absorption (b), nonlinear refraction (n 2) with nonlinear optical susceptibility, v (3) , and second-order hyperpolarizability (c) have been estimated for various solution concentrations and laser powers. The evaluated b, n 2 , v (3) , and c are found to be of the order of 10-4 cm/W, 10-8 cm 2 /W, 10-6 esu, and 10-26 esu, respectively, and these parameters vary linearly with solution concentration as well as laser power. The NLO performance of the ABMPP compound reveals its potential in photonic and optoelectronic applications. Furthermore, the compound has been also assayed for optical limiting characteristics with the same radiation and it shows comparatively better limiting performance. Hence this material could be a viable candidate for optical limiting devices.

Research paper thumbnail of Experimental and computational investigation of novel dihydrated organic single crystal of 2,4,6-triaminopyrimidine and 3,5-dintrobenzoic acid: Linear and nonlinear optical response with limiting performance

Journal of Solid State Chemistry

Research paper thumbnail of A Proton‐Transfer Complex Containing 5‐Hydroxy‐isophthalic Acid with 3,3′‐(Piperazine‐1,4‐diylbis (methylene)) Dibenzonitrile: Structural Topology, Hirshfeld Analysis, NLO, and DFT Studies

ChemistrySelect

This work focuses on the study of a proton-transfer complex (1) of 5-hydroxy-isophthalic acid (H... more This work focuses on the study of a proton-transfer complex (1)
of 5-hydroxy-isophthalic acid (HIPA) and 3,3’-(piperazine-1,4-
dilbit(methylene)) dibenzonitrile (PBN). The single-crystal XRD
reveals that the HIPA and PBN molecules in complex (1) are
mutually connected through intricate N+ H O H-bonding
interactions. Herein, close and open aperture measurements for
the third-order nonlinear optical response of the complex (1)
has been investigated using the Z-scan technique which shows
its potential application in optoelectronic and photonic devices.
Further, DFT calculations have been done for the HOMO-LUMO
energy gap and Mulliken atomic charge analysis which helps us
to understand the proton-transfer mechanism in the complex
(1). The topological and Hirshfeld surface analysis were also
achieved to understand the importance of non-covalent
interactions in the stability of the supramolecular structure and
NLO properties.

Research paper thumbnail of Crystal Structure, Topological and Hirshfeld Surface Analysis of a Zn(II) Zwitterionic Schiff Base Complex Exhibiting Nonlinear Optical (NLO) Properties Using Z-Scan Technique

Crystals

A mononuclear Zn(II) complex of (Zn(H2L) (CH3OH) Cl2) (1) has been synthesized by using a nonline... more A mononuclear Zn(II) complex of (Zn(H2L) (CH3OH) Cl2) (1) has been synthesized by using a nonlinear optically active Zwitterionic Schiff base which is 4-((2-hydroxy-3-methoxybenzylidene) amino) benzoic acid (H2L). Complex 1 has been structurally analyzed by FTIR and UV spectroscopy, TGA, Powder-XRD and single crystal X-ray diffraction. X-Ray crystallographic studies revealed Zn(II) complex crystallizes in a P21/c space group and exists in a distorted trigonal bipyramidal geometry (τ = 0.68). The topological analysis of complex 1 showed that the underlying net is characterized by an unknown topological type and point symbol {342.468.510}, and multilevel analysis of complex packing as dimer gives a 18-c uninodal net with unknown topological type and point symbol {348.499.56}. The calculation results of a Hirshfeld surface analysis have been investigated to explore the H-bonding within the crystal. Third-order non-linear properties were also studied, which revealed that the lower input...

Research paper thumbnail of Potential Third-Order Nonlinear Optical Response Facilitated by Intramolecular Charge Transfer in a Simple Schiff Base Molecule: Experimental and Theoretical Exploration

ACS Omega

A Schiff base, namely, 4-[(2-hydroxy-3-methoxybenzylidene) amino] benzoic acid (L1), has been syn... more A Schiff base, namely, 4-[(2-hydroxy-3-methoxybenzylidene) amino] benzoic acid (L1), has been synthesized by the condensation reaction. It has been characterized by Fourier transform infrared spectroscopy , UV−vis spectroscopy, single-crystal Xray diffraction, and DFT/B3LYP calculations. Single-crystal X-ray crystallographic analysis revealed that L1 exists in the zwitterionic (N−H•••...O) form. The supramolecular interactions were investigated by Hirshfeld surface analysis. In addition, third-order nonlinear optical (NLO) properties of L1 were also investigated. The nonlinear refractive index (n 2), nonlinear absorption coefficient (β), and the third-order NLO susceptibility (χ (3)) have been estimated at different concentrations and at different laser powers using close and openaperture Z-scan data. The values of the parameters were found to be varying almost linearly with concentration and power. The present study revealed the utility of the material for various optoelectronic devices such as optical switches, optical data storage devices, and optical sensors. The optical limiting study reveals that this material can also be exploited as an instrument protector from unwanted laser illumination. Furthermore, the NLO behavior of L1 has also been studied by B3LYP/ 6-311++G(d,p) results.