“…This behavior obeys the Miller rule [ 46 ] i.e., with an increase in frequency there is an exponential decrease of dielectric constant. The high dielectric constant observed in SO is similar to that observed in Ammonium Oxalate [ 47 ] and Urea Oxalic acid crystal [ 34 ]. At very high frequency the dielectric constant was found to be constant.…”
Section: Resultssupporting
confidence: 77%
“…From the graph shown in Figure 16 the plot of optical conductivity with photon energy, it is seen that there is an increase in optical conductivity with photon energy and this behavior reflects the existence of high photo tunable property in SO [ 34 ]. Figure 16 Plot of optical conductivity with energy for SO.…”
Single crystals of Sodium Oxalate (SO) were grown by adopting the slow evaporation solution growth approach from aqueous solution. The prominent functional groups seen in the SO crystal were distinctly detected with Fourier transform infrared and FT-Raman spectral analysis. The cut-off wavelength of 230 nm was measured using Ultraviolet -visible spectral analysis. Theoretical quantum chemical computations were done by DFT using Gaussian software package. The different properties such as structural, vibrational and electronic properties of SO was studied at the B3LYP/LanL2DZ level. The chemical activity of SO molecule was revealed by HOMO-LUMO energies. From Topology analysis the chemical significance of the molecules has been enunciated. The electron density centered on local reactivity descriptors like Mulliken atomic charges and Fukui function were calculated to describe the chemical reactivity of the SO compound. The mechanical property of the grown crystal was disclosed from Vicker's micro hardness test carried out on the grown SO crystals and the test confirms the soft nature of the crystal. The dielectric behavior of SO crystal was completely investigated for different temperatures and the activation energies were calculated for different frequencies.
“…This behavior obeys the Miller rule [ 46 ] i.e., with an increase in frequency there is an exponential decrease of dielectric constant. The high dielectric constant observed in SO is similar to that observed in Ammonium Oxalate [ 47 ] and Urea Oxalic acid crystal [ 34 ]. At very high frequency the dielectric constant was found to be constant.…”
Section: Resultssupporting
confidence: 77%
“…From the graph shown in Figure 16 the plot of optical conductivity with photon energy, it is seen that there is an increase in optical conductivity with photon energy and this behavior reflects the existence of high photo tunable property in SO [ 34 ]. Figure 16 Plot of optical conductivity with energy for SO.…”
Single crystals of Sodium Oxalate (SO) were grown by adopting the slow evaporation solution growth approach from aqueous solution. The prominent functional groups seen in the SO crystal were distinctly detected with Fourier transform infrared and FT-Raman spectral analysis. The cut-off wavelength of 230 nm was measured using Ultraviolet -visible spectral analysis. Theoretical quantum chemical computations were done by DFT using Gaussian software package. The different properties such as structural, vibrational and electronic properties of SO was studied at the B3LYP/LanL2DZ level. The chemical activity of SO molecule was revealed by HOMO-LUMO energies. From Topology analysis the chemical significance of the molecules has been enunciated. The electron density centered on local reactivity descriptors like Mulliken atomic charges and Fukui function were calculated to describe the chemical reactivity of the SO compound. The mechanical property of the grown crystal was disclosed from Vicker's micro hardness test carried out on the grown SO crystals and the test confirms the soft nature of the crystal. The dielectric behavior of SO crystal was completely investigated for different temperatures and the activation energies were calculated for different frequencies.
“…The compared UV-visible absorption spectrum of MBF compound is shown in Figure 3. The band gap value is 1.707eV calculated using Tauc's plot method [25], the measured UV-vis spectrum agrees well with the simulated HOMO-LUMO energy difference 2.204eV.…”
Objective: The biochemical analysis plays an important role in pharmaceutical chemistry. Fungal infections are the most common infectious disease worldwide. The result of this research study can be very useful for the pharmacy and drug discovery process.Material and Method: The experimental UV-Vis absorption is recorded with DMSO as solvent in SAIF IIT
“…The lower refractive index with higher optical transparency of B4ATCZ crystal in the entire UV-Vis region erects it as a potential material for the optical components like resonators, reflectors, Fig. 5 a The plot of reflectance (R) vs. photon energy (ht), b variation of extinction coefficient (K) with 'ht', c variation of 'R' and 'K' with linear absorption coefficient 'a' and, d the linear refractive index (l) with the wavelength of B4ATCZ crystal signal filters, and anti-reflective coating in solar thermal devices [32][33][34].…”
Section: Determination Of Optical Parametersmentioning
confidence: 99%
“…The profile lifetime of excited molecules determined for the B4ATCZ crystal by the Time-Correlated Single-Photon Counting (TCSPC) method shown in Fig. 14a has three exponential decay time [34]. The three exponential decay components are fitted by the following relation:…”
Section: Photoluminescence and Lifetime Measurementmentioning
An efficient semi-organic nonlinear optical bis (4-acetylanilinium) tetrachloridozincate [(C8H10NO)2 ZnCl4] (B4ATCZ) single crystal was synthesized and successfully grown by the slow evaporation method. The single-crystal X-ray diffraction data confirm that B4ATCZ crystallized into an orthorhombic crystal system (Cmca). The UV–Vis–NIR transmittance spectrum was taken to assess the optical transmission, cut-off wavelength, and bandgap energy. The TG–DSC investigation ensures that the B4ATCZ is stable up to 235 °C. The mechanical behavior of the B4ATCZ compound was determined by Vickers Microhardness analysis. The surface laser-induced damage threshold value of the grown B4ATCZ crystal was endowed to be 19.78 GW/cm2 on testing with 1064 nm Nd: YAG laser radiation. The positive photoconductive properties and charge transport mechanism of B4ATCZ crystal were analyzed through photoconductivity and dielectric studies. The electron excitation and lifetime measurements of the molecules in the B4ATCZ crystal were studied by fluorescence spectral analysis. The HOMO–LUMO analysis evidently interprets the occurrence of N–H⋯O and N–H⋯Cl intermolecular hydrogen bonds influencing the charge transfer in the system. The electrostatic potential surface reveals the possible sites for hydrogen bonding electrophilic and nucleophilic interactions. Third-order nonlinear optical activity evaluated by the Z-scan measurements indicates the self-focusing and reverse saturable absorption in the crystal. The aforesaid results affirm that the metal-organic B4ATCZ is a potential material for optoelectronic and nonlinear optical device applications.
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