Study of the Electronic and Spectrum Properties for a Medication Hydroxychloroquine

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. © Published under licence by IOP Publishing Ltd.