CIVILICA We Respect the Science
(ناشر تخصصی کنفرانسهای کشور / شماره مجوز انتشارات از وزارت فرهنگ و ارشاد اسلامی: ۸۹۷۱)

Investigation of Aromaticity electron doner and electron acceptor and O-,M- and P- Aniline

عنوان مقاله: Investigation of Aromaticity electron doner and electron acceptor and O-,M- and P- Aniline
شناسه ملی مقاله: ISPTC18_028
منتشر شده در هجدهمین همایش شیمی فیزیک ایران در سال 1394
مشخصات نویسندگان مقاله:

A Esmaeili - Department of Chemistry, Education,Mahallat,Iran

خلاصه مقاله:
There are different ways for investigation the aromaticites of the cyclic compound.One of thenew method is for investigation the aromaticites of the cyclic compounds like Hetrocyclics ofthe NICS index.The purpose of this article is to introduce NICS method for indication ofaromaticity ring Aniline and therefore comparison between aromaticity of Aniline molecularwith substitution CH3 ,Br and determining the effect of electron doner group and electronacceptor group and isomers,1,2-,1,3- and 1,4- Aniline in aromaticity. All of the calculationwere done by use of GUSSIAN09 software with method B3LYP and 6-311+G** basis set.

صفحه اختصاصی مقاله و دریافت فایل کامل: https://civilica.com/doc/552487/