showing 3 related works from this author
Modeling optical constants from the absorption of organic thin films using a modified Lorentz oscillator model
2022
Optical constants of organic thin films can be evaluated using the Lorentz oscillator model (LOM) which fails to fit inhomogeneously broadened absorption of highly concentrated molecular films. In modified LOM (MLOM), the inhomogeneous broadening is implemented through a frequency-dependent adjustable broadening function. In this work, we evaluate the optical constants of rhodamine 6G doped poly-vinyl alcohol thin films with varying doping concentration (including also extensively high concentrations) using MLOM, which outperforms LOM by showing a better agreement with the experimental results. Our proposed method provides a way to accurately determine optical constants of isotropic organic…
Theoretical characterization of the photochemical reaction CO2 + O(3P) → CO + O2 related to experiments in solid krypton
2020
Abstract Formation and decomposition of the complex of carbon dioxide and atomic oxygen are characterized by quantum chemistry methods aiming to rationalize experimental studies in solid krypton. The observed FTIR spectra reflected the temporal evolution of the system after irradiation showing the bands of reactants, intermediates and products. Advanced quantum chemistry calculations show that the T-shape complex CO2…O(3P) can be formed in the matrix. Its excitation by the 193 nm light results in the charge-transfer state CO2+…O−, which evolves to the reaction intermediate CO3. The latter species decomposes to CO + O2 following pathways on the excited state energy surfaces.
Theoretical characterization of the photochemical reaction CO2+O(3P)→CO+O2 related to experiments in solid krypton
2020
Formation and decomposition of the complex of carbon dioxide and atomic oxygen are characterized by quantum chemistry methods aiming to rationalize experimental studies in solid krypton. The observed FTIR spectra reflected the temporal evolution of the system after irradiation showing the bands of reactants, intermediates and products. Advanced quantum chemistry calculations show that the T-shape complex CO2…O(3P) can be formed in the matrix. Its excitation by the 193 nm light results in the charge-transfer state CO2+…O-, which evolves to the reaction intermediate CO3. The latter species decomposes to CO + O2 following pathways on the excited state energy surfaces. peerReviewed