Investigating the Effect of Changes of Halogenated Compounds on the Aromaticity Flow (NICS) of Composite Rings 5-fluorophenyl-1, 3, 7, 9-tetra methylpyrido [2,3-: d [d-5,6 dipyrimidine -2, 4, 6 and 8 tetron

Document Type: Research Paper


Department of Chemistry, Bishop Heber College (Autonomous), Tiruchirappalli-620 017, Tamil Nadu, India.


In the combination of 5-fluorophenyl-1, 3, 7, 9-tetra methylpyrido [2, 3, d, d, 5, 6 dipyrimidine -2, 4, 6, and 8 tetron, there are 4 rings, respectively, ring that is attached to the halogen ring A and, respectively, a ring The lower and the right to the left of the ring A are called C, B, and D. Calculations and studies show that the amount of aromatics in halogen-ring A in all cases has the highest amount. In the B and D loop, the predicted aromaticity level is low and close to zero, and there is a reduction in aromatics in the C loop than the A ring. In another stage of the study, with the replacement of the halogen ring A from F to I, the following trend was observed. In ring A, when halogens were changed, the increase in aromaticity in halogenated compounds was as follows: F> Cl> Br> I