%0 Journal Article %T Initial Studies of the Effects of Halogenated Dispersions on the Amount of NICS of Rings for C8H12XNO2 %J International Journal of New Chemistry %I Iranian Chemical Science and Technologies Association %Z 2645-7237 %A Niakan, Neda %D 2017 %\ 01/01/2017 %V 4 %N 1 %P 1-5 %! Initial Studies of the Effects of Halogenated Dispersions on the Amount of NICS of Rings for C8H12XNO2 %K halogenated derivatives %K NICS %K 4-fluorophenyl %R 10.22034/ijnc.2017.35043 %X In this research at the first complex and its halogenated derivatives were optimized. NBO calculations and NMR for the complexes were carried out at the B3LYP/6-31G*quantum chemistry level. In the 1- (4-fluorophenyl) -2, 3-dihydro-1 H-naphto- [1, 2-e] [1, 3] oxazine-3-n, there are 4 rings, respectively, rings from the side attached to the halogen They are named C, B, A, and D. Calculations and studies show that the amount of aromatics in the halogen-ring A in all cases has the highest number. In the B loop, the predicted aromatize level is zero, and in the ring C and D, relative to the A loop, the aromaticity increase is as follows: A > D> C In the next stage of the study, with the replacement of the halogen ring A from F to I, this process was researched. In ring A, when halogens were changed, the increase in aromaticity in halogenated compounds was as follows: F> Cl> Br> I.    The data in tables and graphs and shapes were compared and discussed. %U https://www.ijnc.ir/article_35043_7ea08f1c59b21b98a184f4f8c55aca58.pdf