Infrared Absorption Spectroscopy of the Phenyl Radical

Abstract

In this paper we report the infrared absorption spectrum of the phenyl radical in an argon matrix at 12 K and propose assignments for the frequencies and intensities for all of the 24 IR active modes. Our assignments are supported by ab initio electronic structure calculations. The results in this communication show that the phenyl radical can be cleanly and quantitatively prepared in a cryogenic matrix for spectroscopic studies. A close comparison is made between experimental C{sub 6}H{sub 5} frequencies [BC@v] and intensities [BC@A] and modern electronic structure calculations of the phenyl radical, which shows that the calculations can be quite accurate. 20 refs., 1 fig., 1 tab.