Octamethoxydibenzochrysene: isolation and X-ray crystallographic characterization of a twisted polyaromatic cation radical.
نویسندگان
چکیده
The isolation and X-ray crystal structure determination of octamethoxydibenzochrysene () 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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عنوان ژورنال:
- Chemical communications
دوره 20 شماره
صفحات -
تاریخ انتشار 2009