Study of the Electronic and Spectrum Properties for a Medication Hydroxychloroquine

Abstract

Abstract Calculated the electronics and vibrational properties of the medicine hydroxy-chloroquine nanoparticles based on the fitting of their UV–vis spectra, transmittable, IR, Raman spectrum, Electronic circular dichroism (ECD) and HOMO and LUMO, These properties were theoretically studied using Gaussian 09 program. The result shows the stability of hydroxy-chloroquine. The longer wavelength that (500 nm) means high absorbance and less energy. Transmittable, the highest transmittable value in the region is (0 - 3000cm-1) and (2600-1250 cm-1) is offset by the lowest absorption here, the sample has good transparency characteristics at this region. Infrared spectrum, the area (2900 cm-1) it is for the carbon and hydrogen Single bond C-H, and hybridization type sp3. Raman scattering, electronic effect on bond C-H in the area (2800 cm-1) is very large and this bond type stretch. Electronic circular dichroism (ECD), when finding the sign of one or more bands can be an AC limitation. A positive skew angle is foretelling to become connected CD of the low-lying p−p* move at about 600 nm; certainly, for a negative CD, can find a negative angle is expected.