Abstract
Global reactivity descriptors, Milliken’s charge distribution and molecular electrostatic potential based on Density Functional Theory (DFT), are used to understand the relationship between structure, stability and global chemical reactivity. In addition, these descriptors are used in the development of quantitative structure-activity and structure-property relationships. The study also shows the intense effect of the chlorine atom in the charge distribution. X-ray pattern reveals the crystalline structure along the (242) orientation of Aluminum Chloride phthalocyanine (AlCl-Pc) organic thin layer. Absorbance of such layer exhibits a high value within UV range and two consecutive peaks within visible range, spin coating is used to make an organic diode based on the AlCl-Pc cluster and the diode high rectifying facility is discovered. The height barrier is constant and saturation current is greatly reliant on light, the ideality factor of such a diode increases to 6.9 which confirms the non-ideality of such device.
Published Version
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