Mozhgan Shahamirian

Quantitative Study on Local Aromaticity

In Heterocyclic Analogs of Naphthalene and Indole

• Broschiertes Buch

Produktbeschreibung

Substituent Effect on Local Aromaticity has been studied in series of mono-and di-substituted biheterocycles (quinoline, isoquinoline, quinoxaline, quinazoline, 1H-Indole, 1H-Indazole, 1H- Benzo[d]imidazole). Electronically based indices (PDI, ATI and FLU) have been employed to investigate the substituent effect on the -electron delocalization in both heterocycle and benzenoid rings. Three typical substituents (Cl, OCH3 and CN) with different inductive and resonance effect have been selected. Generally, substituent causes a reduction in aromaticity irrespective of whether it is electron attracting or electron donating. Moreover, it is found that the substituent situation with respect to the heteroatom has a significant influence on the aromaticity, and irrespective of whether the two substituents form a meta or para isomer, they preferably choose the position which leads to the maximum aromaticity character. Also, influence of increasing the number of N as heteroatom and their sequences on -electron delocalization of aza derivatives of naphthalene and indole have been investigated by use of different quantitative descriptors including HOMA,NICS and electronic indices.

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Produktdetails

• Verlag: LAP Lambert Academic Publishing
• Seitenzahl: 100
• Erscheinungstermin: 23. November 2012
• Englisch
• Abmessung: 220mm x 150mm x 6mm
• Gewicht: 167g
• ISBN-13: 9783659300448
• ISBN-10: 3659300446
• Artikelnr.: 36834579

Autorenporträt

Dr. Mozhgan Shahamirian has obtained her PhD degree in Organic Chemistry in 2011 from Shiraz University.Her research interests are focused on Theoretical Studies on Organic Reactions & Important Properties of Organic Compounds such as Aromaticity. She is Assistant Professor at Islamic Azad University, Sarvestan Branch, Sarvestan, Fars, Iran.