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Positional effect of phenylene moiety on a certain perylene chromophore: A semiempirical treatment
Date
2007-01-01
Author
Tuerker, Lemi
Atalar, Taner
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Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 International License
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A benzimidazole derivative of perylenetetracarboxylic-3,4,9,10 anhydride has been considered as the base system. Then, by means of annellation ( phenylene fusion) a series of nonexistent structures have been constructed. The positional effect of annellation on these systems has been analyzed theoretically by performing PM3/RHF type quantum chemical calculations. The geometries and stabilities are discussed. The theoretical electronic spectra have been produced by using ZINDO/S ( CI) type calculations and discussed.
Subject Keywords
Organic Chemistry
,
Materials Chemistry
,
Polymers and Plastics
URI
https://hdl.handle.net/11511/64757
Journal
POLYCYCLIC AROMATIC COMPOUNDS
DOI
https://doi.org/10.1080/10406630601134235
Collections
Department of Chemistry, Article
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L. Tuerker and T. Atalar, “Positional effect of phenylene moiety on a certain perylene chromophore: A semiempirical treatment,”
POLYCYCLIC AROMATIC COMPOUNDS
, pp. 1–14, 2007, Accessed: 00, 2020. [Online]. Available: https://hdl.handle.net/11511/64757.