The Use of D Index in the Estimation of Aromaticity: The Case of Cycloparaphenylene

Author(s): Maurizio D'Auria*.

Journal Name: Letters in Organic Chemistry

Volume 16 , Issue 2 , 2019

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Graphical Abstract:


Cycloparaphenylenes are important compounds for their photophysical and electronic properties. The curved structure of these compounds induces an alteration of the aromatic character of these compounds. D values have been used to describe the aromatic character of compounds from [5]- to [10]cycloparaphenylene. D values are compared with HOMED and with the strain energy are obtained by using an homodesmotic reaction.

Keywords: Cycloparaphenylene, D index, strain energy, HOMED, DFT, OLEDs.

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Article Details

Year: 2019
Page: [134 - 138]
Pages: 5
DOI: 10.2174/1570178615666180830113618
Price: $58

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PDF: 17