Identification of the Jet-Cooled 1-Indanyl Radical by Electronic Spectroscopy

• Published in: The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2009-09, Vol.113 (38), p.10279-10283
• Main Authors: Troy, Tyler P, Nakajima, Masakazu, Chalyavi, Nahid, Clady, Raphaël G. C. R, Nauta, Klaas, Kable, Scott H, Schmidt, Timothy W
• Format: Article
• Language: English
• Subjects: A: Kinetics, Spectroscopy
• ISSN: 1089-5639; 1520-5215
• DOI: 10.1021/jp905831m

The electronic spectrum of the jet-cooled 1-indanyl radical has been identified in the products of a hydrocarbon discharge in argon. Electronic excitation spectra were observed in the region 20800−22600 cm−1 by resonant two-color two-photon ionization and laser-induced fluorescence spectroscopies. In addition to the new spectrum at m/z = 117, the spectrum of 1-phenylpropargyl was also observed strongly, as was an unidentified spectrum carried by m/z = 133. The origin band of the 1-indanyl à 2 A′′−X̃ 2 A′′ band system was observed at 21159 cm−1 with the ionization potential of the radical experimentally determined to be 6.578 ± 0.001 eV from a photoionization efficiency spectrum. Single vibronic level fluorescence was dispersed to determine the ground state vibrational frequencies that were utilized to confirm the identity of the radical in comparison with quantum chemical calculations. The calculated ground state frequencies and ionization potential, along with a calculated dispersed fluorescence spectrum of the origin band for the 1-indanyl radical, all provide a positive chemical identification.