d.brundha D.brundha - Academia.edu (original) (raw)
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Bharathidasan Government College For women(Autonomous)
Bharathidasan University, Trichy, India.
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Papers by d.brundha D.brundha
The vibrational spectral analysis was carried out by using Raman and infrared spectroscopy in the... more The vibrational spectral analysis was carried out by using Raman and infrared spectroscopy in the range 4000–400 cm −1 and 4000–100 cm −1 respectively, for 2-amino-5nitropyrimidine (2A5NP) molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) method and different basis sets combination. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The scaled B3LYP/6-311++G results show the best agreement with the experimental values over the other methods. The calculated HOMO and LUMO energies shows that charge transfer within the molecule. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Electronic excitation energies, oscillator strength and...
Materials Today: Proceedings, 2021
The Aloe Vera nanoparticles were successfully synthesized by using Zinc sulfate via Photon Induce... more The Aloe Vera nanoparticles were successfully synthesized by using Zinc sulfate via Photon Induced Method (PIM). A novel green and eco-friendly technique are reported in this paper using Zinc doped Aloe Vera plant extract for Zn-AV NPs. To the best of our knowledge, we are the first to report the synthesis of Zn doped Aloe Vera nanostructures for visible-light photocatalyst. The synthesized Zn doped AV NPs were characterized by X-ray diffraction technique (XRD), Diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FT-IR), Scanning electron microscopy (SEM). The structure formation of Zn-AV NPs and crystallite size 22 nm was confirmed by XRD studies. FT-IR spectra showed the presence of functional groups and protein as the stabilizing agent surrounding the Aloe Vera nanoparticles. The formation of the AV NPs phase was also confirmed by FT-IR. The optical properties were determined by DRS was observed that the bandgap Zn doped AV NPs (2.5 eV) had a degreased band gap than that of pure zinc oxide (3.37 eV), which can be assigned to the visible light absorption of Zn-AV NPs due to the electron transitions from the valence band to the conduction band. We are reported the first time not reported anywhere. This results elucidated a fast, advanced medicine than plant-mediated nanoparticles. The green medicine has no side effect, commercially low cost and eco-friendly method of nextgeneration green NPs synthesis, which could be used as a potential used as a potent agent against various deadly diseases.
SN Applied Sciences
Herein, we have reported a new Photon Induced Method (PIM) to the synthesis of enhanced temperatu... more Herein, we have reported a new Photon Induced Method (PIM) to the synthesis of enhanced temperature stable anatase phased TiO 2 nanoparticles. These TiO 2 nanoparticles exhibited an anatase phase even after calcinating at 800 °C for average crystallite size is 9 nm with a bandgap is 2.98 eV, stretching into the visible light region are identified from DRS, and photoluminescence spectroscopic studies. Whereas, the standard and others reported TiO 2 has existed a 100% rutile phase at this same temperature. The reversibly improved TiO 2 has attained from the PIM method by tuning of oxygen vacancy during the preparation condition. The enhanced methylene blue dye under in the solar-light 100% degradation within 10 min is a very novel report, not reported elsewhere. The obtained pure anatase TiO 2 with high chemical reactivity has a great potential for antibacterial, cancer cells kill, photocatalysis and solar energy conversion applications under solar-light irradiation.
The vibrational spectral analysis was carried out by using Raman and infrared spectroscopy in the... more The vibrational spectral analysis was carried out by using Raman and infrared spectroscopy in the range 4000–400 cm −1 and 4000–100 cm −1 respectively, for 2-amino-5nitropyrimidine (2A5NP) molecule. The molecular structure, fundamental vibrational frequencies and intensity of the vibrational bands are interpreted with the aid of structure optimizations and normal coordinate force field calculations based on density functional theory (DFT) method and different basis sets combination. The complete vibrational assignments of wavenumbers were made on the basis of potential energy distribution (PED). The scaled B3LYP/6-311++G results show the best agreement with the experimental values over the other methods. The calculated HOMO and LUMO energies shows that charge transfer within the molecule. The results of the calculations were applied to simulate spectra of the title compound, which show excellent agreement with observed spectra. Electronic excitation energies, oscillator strength and...
Materials Today: Proceedings, 2021
The Aloe Vera nanoparticles were successfully synthesized by using Zinc sulfate via Photon Induce... more The Aloe Vera nanoparticles were successfully synthesized by using Zinc sulfate via Photon Induced Method (PIM). A novel green and eco-friendly technique are reported in this paper using Zinc doped Aloe Vera plant extract for Zn-AV NPs. To the best of our knowledge, we are the first to report the synthesis of Zn doped Aloe Vera nanostructures for visible-light photocatalyst. The synthesized Zn doped AV NPs were characterized by X-ray diffraction technique (XRD), Diffuse reflectance spectroscopy (DRS), Fourier transform infrared spectroscopy (FT-IR), Scanning electron microscopy (SEM). The structure formation of Zn-AV NPs and crystallite size 22 nm was confirmed by XRD studies. FT-IR spectra showed the presence of functional groups and protein as the stabilizing agent surrounding the Aloe Vera nanoparticles. The formation of the AV NPs phase was also confirmed by FT-IR. The optical properties were determined by DRS was observed that the bandgap Zn doped AV NPs (2.5 eV) had a degreased band gap than that of pure zinc oxide (3.37 eV), which can be assigned to the visible light absorption of Zn-AV NPs due to the electron transitions from the valence band to the conduction band. We are reported the first time not reported anywhere. This results elucidated a fast, advanced medicine than plant-mediated nanoparticles. The green medicine has no side effect, commercially low cost and eco-friendly method of nextgeneration green NPs synthesis, which could be used as a potential used as a potent agent against various deadly diseases.
SN Applied Sciences
Herein, we have reported a new Photon Induced Method (PIM) to the synthesis of enhanced temperatu... more Herein, we have reported a new Photon Induced Method (PIM) to the synthesis of enhanced temperature stable anatase phased TiO 2 nanoparticles. These TiO 2 nanoparticles exhibited an anatase phase even after calcinating at 800 °C for average crystallite size is 9 nm with a bandgap is 2.98 eV, stretching into the visible light region are identified from DRS, and photoluminescence spectroscopic studies. Whereas, the standard and others reported TiO 2 has existed a 100% rutile phase at this same temperature. The reversibly improved TiO 2 has attained from the PIM method by tuning of oxygen vacancy during the preparation condition. The enhanced methylene blue dye under in the solar-light 100% degradation within 10 min is a very novel report, not reported elsewhere. The obtained pure anatase TiO 2 with high chemical reactivity has a great potential for antibacterial, cancer cells kill, photocatalysis and solar energy conversion applications under solar-light irradiation.