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An Accurate Molecular Structure of Phenyl, the Simplest Aryl Radical.
- Source :
-
Angewandte Chemie International Edition . Feb2015, Vol. 54 Issue 6, p1808-1811. 4p. - Publication Year :
- 2015
-
Abstract
- 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. 2.783(2) Å] between the ipso and para carbon atoms. [ABSTRACT FROM AUTHOR]
Details
- Language :
- English
- ISSN :
- 14337851
- Volume :
- 54
- Issue :
- 6
- Database :
- Academic Search Index
- Journal :
- Angewandte Chemie International Edition
- Publication Type :
- Academic Journal
- Accession number :
- 100765756
- Full Text :
- https://doi.org/10.1002/anie.201409896