An accurate molecular structure of phenyl, the simplest aryl radical.

@article{Martinez2015AnAM,
  title={An accurate molecular structure of phenyl, the simplest aryl radical.},
  author={Oscar Luis Martinez and Kyle N Crabtree and Carl A. Gottlieb and John F Stanton and Michael K. McCarthy},
  journal={Angewandte Chemie},
  year={2015},
  volume={54 6},
  pages={1808-11}
}
The phenyl radical (C6H5(·)) is the prototypical σ-type aryl radical and one of the most common aromatic building blocks for larger ring molecules. Using a combination of rotational spectroscopy of singly substituted isotopic species and vibrational corrections calculated theoretically, an extremely accurate molecular structure has been determined. Relative to benzene, the phenyl radical has a substantially larger C-Cipso-C bond angle [125.8(3)° vs. 120°], and a shorter distance [2.713(3) Å vs… CONTINUE READING