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.
Call for Papers in Thematic Issues
Catalytic C-H bond activation as a tool for functionalization of heterocycles
The major topic is the functionalization of heterocycles through catalyzed C-H bond activation. The strategies based on C-H activation not only provide straightforward formation of C-C or C-X bonds but, more importantly, allow for the avoidance of pre-functionalization of one or two of the cross-coupling partners. The beneficial impact of ...read more
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