n]Imperilenes: stacked [n]trannulenes separated by planar cycloalkane rings |
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| Authors: | Shakib Farnaz A Momeni Mohammad R Wu Judy I Schleyer Paul von Ragué Azizi Zahra Ghambarian Mehdi |
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| Institution: | Department of Chemistry, Shahre-ray Branch, Islamic Azad University, Tehran 18155-144, Iran. fshakib@yahoo.com |
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| Abstract: | Two trannulene moieties fused to each other by means of perfectly planar cycloalkane rings comprise an interesting class of molecules (above) named "imperilenes". Based on computed geometries and NICS(zz) values, only the 5], 7], and 9]imperilene singlet states as well as the 4+ charged 4], 6], and 8]imperilenes and their higher energy neutral quintet states are aromatic. The π electron systems of the individual trannulene rings, rather than the overall electron count, determine the behavior. |
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