Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment

Date

2008-01-01

Author

Türker, Burhan Lemi
Gumus, Selcuk

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The effect of aza substitution at different sites of a benzimidazole derivative of a perylenetetracarboxylic-3,4,9,10 acid is investigated theoretically. These, as yet nonexistent aza derivatives have been subjected to theoretical analysis at PM3 (RHF) type semiempirical calculations. The results indicate that all the structures are stable but endothermic. Substitution of nitrogen on the bay region of the perylene core is more favored. The electronic and vibrational spectra have also been computed.

Subject Keywords

Organic Chemistry, Materials Chemistry, Polymers and Plastics

URI

https://hdl.handle.net/11511/56760

Journal

POLYCYCLIC AROMATIC COMPOUNDS

DOI

https://doi.org/10.1080/10406630701752837

Collections

Department of Chemistry, Article

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Citation Formats

B. L. Türker and S. Gumus, “Positional effect of nitrogen substitution on a certain perylene chromophore - A semiempirical treatment,” POLYCYCLIC AROMATIC COMPOUNDS, pp. 4–14, 2008, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/56760.