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Research Paper | Chemistry | Iraq | Volume 6 Issue 10, October 2017

The Calculations of Ring Current of Some Benzenoids Using Randic Model

Manal O. Hamzaha

Abstract: The ring currents of some benzenoids were calculated using a graph theoretical model as called Randi. This model follows the first law of Kirchhoff. And it gives a qualitative visualization of currents expressive as plotted maps. The currents in the maps are decomposed into perimeter and interior bond currents. The results showed that the currents of bonds on perimeter of all molecules were diatropic (anticlockwise). And all the molecules were aromatic (diamagnetic). But the current of interior bonds of some molecules were paratropic (clockwise) (KF9, KF17 and KF19). The numerical values indicated that the currents were affected by the shape and the size of molecules.

Keywords: currents, Randi, diatropic, conjugated circuits, diamagnetic

Edition: Volume 6 Issue 10, October 2017,

Pages: 136 - 138