Octamethoxydibenzochrysene: isolation and X-ray crystallographic characterization of a twisted polyaromatic cation radical

Literature Information

Publication Date 2009-04-06
DOI 10.1039/B903133B
Impact Factor 6.222
Authors

Tushar S. Navale, Linyi Zhai, Sergey V. Lindeman, Rajendra Rathore


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Abstract

The isolation and X-ray crystal structure determination of octamethoxydibenzochrysene (3) cation radical together with DFT calculations allow us to delineate evidence that the complex structural changes (i.e. elongation and shortening of various bonds) in a polyaromatic hydrocarbon can be predicted based on the positioning of the largest bonding and antibonding character of the HOMO.

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