Abstract
The successful synthesis of different polyacenes including theoretical assessment on the stability of larger acenes are discussed. The existence of favorable aromaticity criterion in polyacenes is understood in terms of different aromaticity indicators like nucleus independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), bond resonance energy (BRE). Clar’s Π- sextet rule is also very much effective in explaining their aromaticity. By virtue of low HOMO-LUMO gap, the probable application of polyacenes in the field of organic electronics is also highlighted. The polyacene analogues of inorganic ring compounds, viz., BN-acenes, CN-acenes, BO-acenes, BS-acenes, AlN-acenes and of alkali ring compounds, viz., Na-acenes and K-acenes also have polyacene-like aromaticity although in few cases the origin of aromaticity and qualitative nature of aromaticity differ significantly.
Keywords: Nucleus independent chemical shift, Conceptual density functional theory, Hardness, Electrophilicity, Polyaromatic hydrocarbon.
Current Organic Chemistry
Title:Aromaticity in Polyacenes and Their Structural Analogues
Volume: 17 Issue: 23
Author(s): Ranjita Das, Arindam Chakraborty, Sudip Pan and Pratim K. Chattaraj
Affiliation:
Keywords: Nucleus independent chemical shift, Conceptual density functional theory, Hardness, Electrophilicity, Polyaromatic hydrocarbon.
Abstract: The successful synthesis of different polyacenes including theoretical assessment on the stability of larger acenes are discussed. The existence of favorable aromaticity criterion in polyacenes is understood in terms of different aromaticity indicators like nucleus independent chemical shift (NICS), harmonic oscillator model of aromaticity (HOMA), bond resonance energy (BRE). Clar’s Π- sextet rule is also very much effective in explaining their aromaticity. By virtue of low HOMO-LUMO gap, the probable application of polyacenes in the field of organic electronics is also highlighted. The polyacene analogues of inorganic ring compounds, viz., BN-acenes, CN-acenes, BO-acenes, BS-acenes, AlN-acenes and of alkali ring compounds, viz., Na-acenes and K-acenes also have polyacene-like aromaticity although in few cases the origin of aromaticity and qualitative nature of aromaticity differ significantly.
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Cite this article as:
Das Ranjita, Chakraborty Arindam, Pan Sudip and Chattaraj K. Pratim, Aromaticity in Polyacenes and Their Structural Analogues, Current Organic Chemistry 2013; 17 (23) . https://dx.doi.org/10.2174/13852728113179990129
DOI https://dx.doi.org/10.2174/13852728113179990129 |
Print ISSN 1385-2728 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-5348 |
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