Octamethoxydibenzochrysene: Isolation and X-ray Crystallographic Characterization of a Twisted Polyaromatic Cation Radical

Authors

Tushar Navale, Marquette University
Linyi Zhai, Marquette University
Sergey V. Lindeman, Marquette UniversityFollow
Rajendra Rathore, Marquette University

Document Type

Article

Language

eng

Publication Date

2009

Publisher

Royal Society of Chemistry

Source Publication

Chemical Communications

Source ISSN

1359-7345

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.

Comments

Accepted version. Chemical Communications, No. 20 (2009): 2857-2859. DOI. © 2009 Royal Society of Chemistry. Used with permission.

Recommended Citation

Navale, Tushar; Zhai, Linyi; Lindeman, Sergey V.; and Rathore, Rajendra, "Octamethoxydibenzochrysene: Isolation and X-ray Crystallographic Characterization of a Twisted Polyaromatic Cation Radical" (2009). Chemistry Faculty Research and Publications. 613.
https://epublications.marquette.edu/chem_fac/613