investigating the effect of changes of halogenated compounds on the aromaticity flow (nics) of rings 5-fluorophenyl-1, 3, 7, 9-tetra methylpyrido [2,3] [d-5,6 dipyrimidine -2, 4, 6 and 8 tetron

investigating the effect of changes of halogenated compounds on the aromaticity flow (nics) of rings 5-fluorophenyl-1, 3, 7, 9-tetra methylpyrido [2,3] [d-5,6 dipyrimidine -2, 4, 6 and 8 tetron

in the combination of 5-fluorophenyl-1, 3, 7, 9-tetra methyl pyrido [2, 3, d, d, 5, 6 di pyrimidine -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.