Linear Optical Studies Research Articles

Linear and nonlinear optical studies on successfully mixed vanadium oxide and zinc oxide nanoparticles synthesized by sol–gel technique

Abstract In this study, V2O5, 5ZnO/10V2O5, and ZnO, 10ZnO/10V2O5 nanocomposites were synthesized by the sol–gel method. The sol–gel technique is an important process for the fabrication of advanced oxide materials with desirable catalytic, optical, and structural properties. The varieties and flexibilities of sol–gel techniques help in preparing materials with extremely specific properties. For the presented samples, three types of phases were assessed. The average crystalline size of V2O5, 5ZnO/10V2O5 and ZnO, 10ZnO/10V2O5 nanocomposites were found to be 25, 26, 14.5, and 15.5 nm, respectively. SEM images showed three different shapes of semi-tube, semi-spherical, and semi-flower. The pure samples of V2O5 and ZnO showed semi-tube shapes. 5ZnO/10V2O5 shows a spherical shape with average dimeter of 0.6 µm. Strong dependence of the direct optical band gap was observed on different compositions that varied within the range of (2.33–2.73 eV). Conversely, the indirect values varied within the range of 2.119–2.35 eV. On the other hand, 10ZnO/10V2O5 has semi flower shape with different layers. Optical parameters, such as optical band gap, extension coefficient, tails of localized states, and refractive index, were gauged for these nanocomposites. In addition, the mean refractive index of ZnO is lower than that of V2O5, with differences observed between 5ZnO/10V2O5 and 10ZnO/10V2O5 nanocomposites.

Second harmonic generation and reverse saturable absorption in electrospun picric Acid-PMMA nanofibers

Picric acid (PA) – polymethyl methacrylate (PMMA) nanofibers were synthesised using electrospinning technique by optimising all the required parameters. The nonlinear optical behaviour of the synthesised nanofibers was investigated along with their preliminary characterisations like morphological, structural, thermal, mechanical, dielectric and linear optical studies. The nanofibers with average diameter around ∼800 nm, were found to crystallise in Pca21 space group under the orthorhombic crystal system. The incorporation of Picric acid nanocrystals inside the PMMA nanofibers enhanced their tensile strength. Second harmonic generation imaging of picric acid embedded PMMA nanofibers was done by nonlinear microscopy and the emission was confirmed by power dependence as well as Kurtz – Perry powder technique. Nonlinear absorption studies by Z – scan technique were conducted with a Q – switched Nd: YAG laser and the nanofibers exhibited reverse saturable absorption nature at all the input intensities (0.616 × 1012 W/m2, 1.23 × 1012 W/m2 and 2.46 × 1012 W/m2) and the value of the nonlinear absorption coefficient increased corresponding to an increase in input intensity (0.98 × 10−10 m/W, 1.39 × 10−10 m/W and 1.61 × 10−10 m/W) owing to a sequential two photon absorption. Using the transmittance data optical limiting properties of the nanofibers were also analysed and the limiting threshold values (1.92 × 1012 W/m2, 1.80 × 1012 W/m2 and 1.54 × 1012 W/m2) at respective intensities were extracted. The low optical limiting threshold obtained in the present case confirms that picric acid – PMMA nanofibers can be an assured contender as optical limiters in laser safety devices.

Defect-controlled fabrication of reduced graphene oxide/ZnO/PMMA-based solid-state optical limiting filters with SA/RSA switching property

A solid-state optical limiting filter was fabricated by noncovalently functionalizing a graphene-based nanocomposite with a polymer. Graphene oxide was reduced by varying reducing agent concentration and functionalized with metal oxide nanoparticles to enhance electronic transitions and third-order nonlinear optical characteristics. The nanocomposite was dispersed over the PMMA polymer framework, and thin films with μm-scale thickness were fabricated using the dip coating method. XRD analysis confirmed the wurtzite crystal structure of ZnO nanoparticles and the amorphous nature of PMMA. The carbon structural integrity was analyzed using Raman spectra. Linear optical studies revealed a redshift in the π-π* transition peak in rGO, suggesting enhanced conjugation. Third-order nonlinear refraction and absorption properties were assessed using the Z-scan technique, revealing a switching behavior in nonlinear absorption at different input intensities. An increase in the relative concentration of sp2 domains enhanced the nonlinear absorption. Optical limiting potential, determined using open aperture Z-scan data, yielded a threshold value of 0.066 GW/cm2. This study aims to develop a solid-state optical filter with a high laser damage threshold by adjusting the reduction rate, tuning defect levels, and analyzing its effect on the optical limiting potential.

Luminescence features of Dy3+-doped B2O3 and B2O3-P2O5 hosts for optical devices: the linear and non-linear optical studies

Luminescence features of Dy3+-doped B2O3 and B2O3-P2O5 hosts for optical devices: the linear and non-linear optical studies

Growth, mechanical, thermal, electrical, linear, and nonlinear optical studies of urea resorcinol single crystals for NLO applications

Urea Resorcinol (UR) was synthesized and grown using the slow cooling technique to form a possible organic nonlinear optical crystal. Single crystal X-ray diffraction analysis was used to determine the shape and lattice characteristics of the generated UR crystals. The crystallinity was verified using a high-resolution X-ray diffraction examination. The emission and transparency of the formed crystal were revealed by optical studies including photoluminescence and UV–visible-NIR spectrum analyses. Through the use of an optical microscope and the Vickers microhardness tester, its mechanical behavior was investigated and the density of its etch pits was estimated. The investigations were also conducted on the UR crystal's microphysical properties, including its dielectric tensor, dielectric loss, and thermal analysis. An Nd:YAG laser was used to quantify the laser-induced surface damage and the results were connected to the grown crystal's specific heat capacity. By using the Kurtz and Perry technique, the efficiency of second harmonic generation was determined for different UR crystal particle sizes that have good phase matchability, and its SHG output was compared to urea.

Nonlinear optical and antimicrobial activity of N-acyl glycine derivatives

The current paper provides a theoretical and experimental coupled study of synthesized N–octanoyl glycine and N–oleoyl glycine. The derivatives were characterized using nuclear magnetic resonance (1H and 13C NMR), liquid chromatography–mass spectrometry (LC-MS), Fourier–transform infrared (FT-IR), and ultraviolet–visible (UV–Vis) spectroscopy. The resulting N-acyl glycines were assessed for their in vitro antimicrobial activity. The experimental investigation is supported by a linear and nonlinear optical study based on DFT levels and shows that our glycine analogues get moderate hyperpolarizability (β). The β results of these glycines are of moderate amplitude, like those of amino acids. For this, several procedures have been discussed for achieving these β values.

Preparation, Crystal Structure, Physico‐chemical and Nonlinear Optical Properties of a New D‐π‐A Centrosymmetric Stilbazolium Framework of 4‐[2‐(3hydroxy‐phenyl)‐vinyl]‐1‐methyl‐pyridinium iodide (HMPI)

AbstractNew organic Stilbazolium cation Salt of 4‐[2‐(3 hydroxy‐phenyl)‐vinyl]‐1‐methyl‐pyridinium iodide (HMPI), which was obtained through solvent evaporation solution growth. The crystal structure was proved via the SC‐XRD technique. Its outcome reveals that the HMPI crystallised in a centrosymmetric pattern (P121/n1) and monoclinic crystal system. The compositional analysis was performed via 1H NMR and 13C NMR. The FT‐IR spectrum was used to determine the vibrational mode of the different molecular groups present in the material. The intermolecular interactions in the crystal structure were studied using Hirshfeld surface analysis. The molecular orbital energies (HOMO‐LUMO) and molecular electrostatic potential (MESP) were estimated using the Gaussian program with the density functional theory (DFT) method. The linear optical study revealed the transmittance percentage, lower cut‐off wavelength, and energy band gap for HMPI crystal. In the photoluminescence study, a green colour broad emission peak is observed at 521 nm. TG and DTA measured the thermal behaviour of grown HMPI crystal. Chemical etching and atomic force microscopy (AFM) experiments were used to report the surface properties of grown HMPI crystal. The Z‐scan technique, a He−Ne continuous wave laser at 632.8 nm used to measure the third‐order nonlinear optical susceptibility of the HMPI crystal. The Z scan approach reveals a saturable absorption and self‐defocusing nature of the title crystal.

Peculiar nonlinear optical absorption and optical limiting behaviors of bismuth-based binary and ternary nanostructures

A single-beam Z-Scan experiment was used to investigate the nonlinear optical absorption and optical limiting properties of pristine Bi2O3, binary rGO/Bi2O3, Bi2O3/WO3 and ternary rGO/Bi2O3/WO3 nanostructures. These nanostructures were synthesized using a facile hydrothermal method. The crystallite size, interplanar spacing, allotropes of carbon and functional groups were characterized using XRD, Raman and FTIR. The morphology of the synthesized compounds was confirmed by SEM and TEM analyses. EDS analysis confirmed the existence of elements such as C, O, Bi and W. A linear optical study illustrates that the pristine Bi2O3 exhibited absorption within the UV range of 200 nm and 400 nm, whereas the binary and ternary nanostructures displayed absorption in the UV–Visible range from 200 nm to 800 nm. The synthesized nanostructures shows exciting nonlinear absorption such as genuine 2PA (pristine Bi2O3), W-type SA to RSA (binary rGO/Bi2O3, Bi2O3/WO3) and sequential 2PA (ternary rGO/Bi2O3/WO3). Bismuth-based nanostructures exhibit the lowest optical limiting (OL) threshold and a greater two-photon absorption coefficient. The extended conjugation for charge transfer and the presence of high defect-induced states in rGO, along with the strong UV–Visible absorption of Bi2O3 and WO3 which leads to a unique nonlinear optical response. This response holds promise for potential applications in energy stabilizers and laser safety devices operating at 532 nm and 9 ns laser domain.

Solvent dependent nonlinear optical properties of benzodioxol chalcone: An elucidation of spectroscopic, DFT, solvatochromism and z-scan technique

Novel push–pull chalcone derivative, 3-(1,3-Benzodioxol-5-yl)-1-phenyl-2-propen-1-one (BZDP) which can exhibit fascinating third-order nonlinear optical characteristics were probed through experimental cum theoretical simulations. The structural confirmation of the molecule is analysed via spectral studies. Studied chalcone is examined for linear and nonlinear optical studies which revealing molecule's ability as an organic NLO material. The electronic transitions are reflected in the absorption and emission spectra of the examined molecule. The fluorescence quantum yield was found to be 0.12. The experimental results were reinforced by the computational simulations executed using density functional theory method. Ground and excited state dipole moments, in addition to nonlinear optical properties were evaluated by solvatochromism. NLO studies were carried out in polar and non-polar solvent media by z-scan technique. Besides, the optical limiting ability of the compound reveals that it can be used as an optical limiter.

Femtosecond nonlinear optical investigations of nitro chalcones-doped PMMA thin films for optical limiting and photonic applications

Herein we present the linear and third-order nonlinear optical properties of two nitro substituted chalcone derivatives [3-(4-fluorophenyl)− 1-(3-nitrophenyl) prop-2-en-1-one and (2E,4E)− 1-(3-nitrophenyl)− 5-phenylpenta-2,4-dien-1-one; abbreviated as F3NC and Ci3NC, respectively] doped PMMA polymer thin films. The chemical spray pyrolysis method was adopted to prepare the films at three different doping concentrations (5 wt%, 10 wt%, 15 wt%). The linear optical studies were performed using UV-Visible-NIR spectra, and surface roughness using AFM technique. Hirshfeld surface analysis was adopted to understand the intermolecular interactions. The third-order nonlinear optical properties were investigated using Z-scan method under Ti:Sapphire femtosecond (fs) laser pulses (∼150 fs, 80 MHz, 800 nm). Open and closed aperture Z-scan curves indicated the presence of two-photon assisted reverse saturable absorption and self-defocusing effect, respectively. The calculated nonlinear refraction (n2), nonlinear absorption (β) coefficients and third-order susceptibility [χ(3)] were found to be in the order ∼10−12 cm2 W−1, ∼10−8 cm W−1 and ∼10−11 e.s.u., respectively. We observed increase in nonlinearity of the films with increased chalcone doping concentration. Among the doped chalcones, F3NC doped films exhibit a higher nonlinearity than Ci3NC doped films. The observed results reveal that chalcone-doped PMMA thin films are possible materials for optical limiting and photonic applications.

Investigation on crystal growth, spectral, linear optical studies, and third-order nonlinear optical analysis of L-Cysteine hydrochloride monohydrate lithium sulphate (L-CHMLS) single crystals for optical limiting applications

Investigation on crystal growth, spectral, linear optical studies, and third-order nonlinear optical analysis of L-Cysteine hydrochloride monohydrate lithium sulphate (L-CHMLS) single crystals for optical limiting applications

Comment on crystal growth, spectral, structural, linear, and third-order nonlinear optical and mechanical studies of a novel semi-organic single-crystal l-methionine barium nitrate (LMBN) for optical limiting applications

Comment on crystal growth, spectral, structural, linear, and third-order nonlinear optical and mechanical studies of a novel semi-organic single-crystal l-methionine barium nitrate (LMBN) for optical limiting applications

Design, synthesis, solid-state and solution structures, non linear optical and computational studies of copper(II) complexes supported by variously substituted enantiomerically pure push-pull tetradentate Schiff base ligands

The synthesis, spectroscopic and structural characterization, optical and electrochemical properties and theoretical studies of a family of four new copper(II) complexes supported by a ferrocene-containing N2O2-tetradentate chiral Schiff base ligand derived from enantiomerically pure (1R,2R)-(−)-1,2-diaminocyclohexane are reported. The push-pull Cu(II) complexes were prepared following a one-pot three-component reaction involving the chiral half-unit (1R,2R)-Fc-C(=O)CHC(CH3)NH-c-C6H10NH2, copper acetate monohydrate and the appropriately 3-R,5-R’-substituted salicylaldehyde derivative in a 1:1:1 ratio (Fc = ferrocenyl; 3: R=H, R’ = Cl; 4: R=H, R’ = Br; 5: R=R’ = F;6: R=R’ = NO2), and isolated in 65–97% yields as brown microcrystalline products. The characterization of the synthesized compounds were investigated through CHN elemental analysis, UV–vis, FT-IR, high-resolution mass spectrometry, and X-ray diffraction analysis in the case of the difluoro substituted complex 5 that was obtained in the form of single crystals. It crystallizes in the orthorhombic non-centrosymmetric space group P212121, with two (R,R)-(−)-chiral carbon atoms in the structure. The four-coordinate Cu(II) metal ion adopts a slightly distorted square planar geometry. Magnetic properties of powdered samples have been investigated (2-300 K) and found consistent with a single isolated copper(II) ion (s = 1/2). Cyclic voltammetry showed that the stronger the electron withdrawing effect of the 3,5-substituents, the more anodically shifted the oxidation potential (E1/2) of the ferrocenyl moiety, following the order: 5-Cl < 5-Br < 3,5-F2 < 3,5-(NO2)2. This trend is similar when considering the values of the second-order polarizabilities β of these compounds as measured using Harmonic Light Scattering (HLS) at 1.9 µm, confirming the increasing electron withdrawing effect evidenced by electrochemical studies as well as the conjugation between the electron donor ferrocenyl moiety and the different halogen or nitro substituents through the square planar copper Schiff base framework. Finally, DFT and TD-DFT calculations allow to rationalize the structure and properties of the complexes.

Optical limiting behavior of metal (Mn, W) oxides decorated nitrogen-doped reduced graphene oxide nanocomposites stimulated by two-photon absorption

Nanopulsed Nd: YAG green laser-induced nonlinear absorption and optical limiting properties of rGO/MnO2, NrGO/MnO2 and NrGO/MnO2/WO3 nanostructures were studied for the first time utilizing single beam Z-scan experiment. Initially, rGO was prepared by solar exfoliation whereas MnO2, WO3, rGO/MnO2, NrGO/MnO2 and NrGO/MnO2/WO3 nanostructures were synthesized by hydrothermal method. XRD was used to determine the structure and crystallite size of the materials. Carbon allotropes and functional groups of the prepared materials were studied using Raman and FT-IR spectroscopy. SEM images showed layered rGO, as well as rod-like MnO2 and flake-like WO3 nanostructures adorned on the top of NrGO layers. EDS analysis validated the presence of C, N, Mn, W, and O. Linear optical study manifested absorption in the UV–Visible region between 200 nm and 800 nm. The occurrence of reverse saturable absorption (RSA) was confirmed by an open aperture Z-scan technique. Compared to its pure analogs and derivatives of graphene, MnO2 decorated NrGO had a higher two-photon absorption coefficient (8.92 × 10−11 m/W) and the lowest optical limiting (OL) threshold (3.29 × 1012 W/m2). Extensive conjugation for charge transfer in NrGO and rod-like shape, homogeneous decorating, and strong visible absorption in MnO2 combine to provide enhanced nonlinear optical (NLO) response and has the potential use in energy stabilizers and laser safety devices in the 532 nm, 9ns laser domain.

The role of defects on linear and nonlinear optical properties of pristine and nickel doped zinc oxide nanoparticles

We herein report the marked influence of defects on the optical and nonlinear optical properties of nanoparticles, revealed from our investigations on pristine and nickel doped zinc oxide nanoparticles (Zn(1 − x)NixO). These nanoparticles have been prepared via a simple and cost- effective hydrothermal technique, and their structure has been confirmed by X-ray diffraction analysis. Field emission scanning electron microscopy shows the rod-like structure of Zn(1 − x)NixO nanoparticles, and X-ray Photoelectron Spectra confirm the existence of divalent oxidation states of zinc (Zn) and nickel. The presence of defect states due oxygen (O2) vacancies along with Zn interstitials have been identified from the Raman spectra. An indirect relation between the band gap energy and Urbach energy has been manifested from the linear optical studies using ultraviolet–visible (UV–Vis) absorption spectra. Photoluminescence emission peaks have been noted in the visible region for an excitation wavelength (λex) of 325 nm. The suppression of peaks in the UV region is attributed to the presence of defects in the synthesized samples. Third order nonlinear optical studies reveal an increment in the nonlinear parameters on doping, which can be correlated with the influence of defects like Zn interstitials and O2 vacancies developed in the materials.

Synthesis and spectroscopic characterization of nicotinaldehyde based derivatives: SC-XRD, linear and non-linear optical studies

In this study, new arylated derivatives of pyridine named as 6-(4-tertbutylphenyl)-nicotinaldehyde (TBPNA) and 6-(4-hydroxyphenyl)-nicotinaldehyde (HPNA) were synthesized by Suzuki Miyaura CC coupling approach. The structures of newly synthesized compounds were authenticated by spectroscopic techniques like FT-IR, UV-Vis, and 1H-NMR. Furthermore, the structural features of TBPNA and HPNA were explored by using the single-crystal X-ray diffraction technique (SC-XRD) showing monoclinic crystal structure and P21/c space group for both compounds. For a comprehensive study of the compounds, a computational quantum chemical study is also performed by using the density functional theory (DFT). The said compounds were optimized using the B3LYP method and a 6-311++G(d, p) basis set. The comparison of theoretical (DFT) and experimental (SC-XRD) data on structural parameters displayed good agreement. Frontier molecular orbital (FMO), natural bond orbital (NBO), the molecular electrostatic potential (MEP), and time-dependent density functional theory (TD-DFT) were also performed at the B3LYP/6-311++G(d,p) level of theory to get complete insights into electronic communications, intramolecular charge transfer (ICT) process, electronic transition and oscillation strength. The optoelectronic and non-linear optical (NLO) responses of the synthesized compounds were determined by computing the total dipole moment (μtot), average polarizability ⟨α⟩, and the first hyperpolarizability (βtot) at different functional(s) such as HF, M06, M062X, CAM-B3LYP, LC-BLYP, and B3LYP, paired with the 6-311++G(d,p) basis set. The B3LYP method exhibited the highest values of ⟨α⟩ and (βtot) for HPNA and TBPNA, which were found to be many times higher than the value of urea (⟨α⟩ = 34.055 a.u., βtot =90.527 a.u.), used as a standard NLO material.

Annealing duration dependent optical, nonlinear optical, and optical limiting properties of rare-earth doped glasses embedded with gold nanoparticles

In this work, the Eu2O3 doped B2O3 glass specimen embedded with gold nanoparticles (NPs) was designed by the process of melt-quenching and subjected for thermal treatment to understanding the efficacy of thermal dependency on the optical and nonlinear optical (NLO) characteristics. Linear optical studies have revealed a decrease trend in the energy band gap as the function of annealing duration, indicating the increase of non-bridging oxygen concentration in the glass host. The NLO properties were assessed in near-infrared region utilizing 150 fs laser pulses delivered at the rate of 80 MHz. The aperture free Z-scan measurements exhibited an increased nonlinear absorption coefficient with annealing duration. Further, the closed aperture Z-scan data depicted an increase trend in the positive nonlinear refraction with annealing duration and eventually reduced at the greater duration of annealing. The optical limiting studies demonstrated similar behaviour to the nonlinear absorption characteristics of studied glass samples. These results are related to the local field stimulated by surface plasmons of gold NPs near the Eu3+ ions during the exposure of glass to high fluence laser beam. Our results indicate that B2O3 glasses embedded with Au NPs heat-treated for 30 h at 450 °C are good candidates for nonlinear photonic, optoelectronic, and optical power limiting applications in photonics.

Investigations on the Growth and Characterization of L-Leucine Doped Rubidium Sulfate Nonlinear Optical Single Crystal

Objectives: To grow crystal of inorganic material Rubidium sulfate by doping with an organic material L-leucine. Methods: Crystal has been grown by solution method. Crystallographic studies were done. Mechanical studies were carried out to find the mechanical strength and other parameters. Dielectric studies of L-leucine doped rubidium sulfate crystals were carried out to evaluate dielectric constant, dielectric loss and activation energy. UV-visible- NIR spectral studies were done in the wavelength range 200-1100 nm. Second order Non Linear Optical (NLO) studies of the grown crystal of LLRS were carried out by Kurtz-Perry technique. Findings: The grown LLRS crystal is observed to be crystallizing in orthorhombic structure by single crystal XRD studies. The optical band gap of LLRS crystal was found to be slightly more than that of undoped rubidium sulphate crystal. The SHG efficiency of LLRS crystal is observed to be 0.61 times that of the reference KDP sample. Dielectric parameters are found to decrease with increase in frequency. Dielectric constant and dielectric loss factor increase when the temperature of the samples increases. AC conductivity increases with increase of temperature. Activation energy is increasing when the frequency increases. The band gap value is found to be 4.43 eV for undoped rubidium sulfate crystal. For L-leucine doped rubidium sulfate (LLRS) crystal, the optical band gap is 4.48 eV. From the Microhardness teat, it is observed that the hardness increases with increase of the applied load for both the samples and this is due to reverse indentation size effect. Novelty: In this study, as a novel work, a very first attempt has been made to combine an organic material L-leucine with an inorganic crystal viz. rubidium sulfate to alter its physical and chemical properties. Keywords: Inorganic Single Crystal; Crystal Structure; Mechanical Properties; Dielectric properties; Optical Properties; Spectral Properties

CRYSTAL GROWTH IN SOLUTION AND CHARACTERIZATION OF RUBIDIUM SULFATE SINGLE CRYSTALS DOPED WITH L-LEUCINE

Rubidium sulfate crystal is an inorganic material and it is doped with an organic material viz. L-leucine to improve the various properties of the host crystal. L-leucine doped rubidium sulfate (LLRS) crystals have been grown by solution method. LLRS crystals have been harvested after the growth period of 30 days. The grown LLRS crystal is observed to be crystallizing in orthorhombic structure by single crystal XRD studies. Mechanical studies were carried out to find the mechanical strength and other parameters. Dielectric studies of L-leucine doped rubidium sulfate crystals were carried out to evaluate dielectric constant, dielectric loss and activation energy. UV-visible-NIR spectral studies were done in the wavelength range 200-1100 nm and linear optical properties like transmittance, absorption coefficient and extinction coefficient of samples have been evaluated. Second order Non Linear Optical (NLO) studies of the grown crystal of LLRS were carried out by Kurtz-Perry technique. The fundamental absorption was noted at 280 nm and at 278 nm for undoped and L-leucine doped rubidium sulphate crystals respectively. The optical band gap of LLRS crystal was found to be slightly more than that of undoped rubidium sulphate crystal. The SHG efficiency of LLRS crystal is observed to be 0.61 times that of the reference KDP sample.

Scrutinizing the optical limiting action of a novel carbonyl guanidinium hippurate for laser safety device applications

A new organic Carbonyl Guanidinium Hippurate [CGH] crystal is grown and its crystal structure was solved for first time in literature. Structural stability via hydrogen bond interactions and the structural parameters were investigated and weighted up with the theoretical interpretation. FT-IR and Raman spectroscopic behavior was expended to recognize the various functional groups accommodated in CGH. The diverse inter contacts existing within the crystal were visualized through 3D Hirshfeld surface analysis and 2D fingerprint plot of CGH ensures the percentage of interactions takes place in. The natural bond orbital evaluation interprets all the possible inter and intra molecular interactions appear in the crystal structure for stabilization. The CGH specimen has thermal stability up to 183 °C and the lesser defect nature for the better NLO effect has been confirmed with diminish dielectric constant and dielectric loss at higher frequencies. The linear optical studies reveal that the material has high transmission window in the region of 280–1100 nm and low band gap with green emission tendency. HOMO-LUMO plot and MESP map indicates the ICT interactions present in the molecule. Intensity dependent open aperture z-scan confirms the sequential two photon absorption arising from excited state absorption and thus CGH crystal can be used for developing nonlinear absorption based laser safety devices.