کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5416401 | 1506894 | 2010 | 5 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
The role of substituent on the aromaticity variation of mono- and di-substituted aza analogs of indole
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
![عکس صفحه اول مقاله: The role of substituent on the aromaticity variation of mono- and di-substituted aza analogs of indole The role of substituent on the aromaticity variation of mono- and di-substituted aza analogs of indole](/preview/png/5416401.png)
چکیده انگلیسی
Electronically-based indices (ATI and FLU) have been employed to investigate the substituent effect on the Ï-electron delocalization in both heterocyclic and benzenoid rings of mono- and di-substituted aza analogous of indole. Three typical substituents (Cl, OCH3 and CN) with different inductive and resonance effects have been selected. Generally, substituent causes a reduction in aromaticity irrespective of whether it is electron-attracting or electron-donating. It is shown that maximum aromaticity exhibits a similar trend of Cl > CN > OCH3 for all studied rings. Moreover, it is found that the substituent situation with respect to heteroatom has a significant influence on the aromaticity. In di-substituted derivatives, irrespective of their positions relative to each other, they preferably choose the position that leads to maximum aromaticity character.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Journal of Molecular Structure: THEOCHEM - Volume 951, Issues 1â3, 15 July 2010, Pages 72-76
Journal: Journal of Molecular Structure: THEOCHEM - Volume 951, Issues 1â3, 15 July 2010, Pages 72-76
نویسندگان
Afshan Mohajeri, Mozhgan Shahamirian,