Troy Tyler P, Nakajima Masakazu, Chalyavi Nahid, Clady Raphaël G C R, Nauta Klaas, Kable Scott H, Schmidt Timothy W
School of Chemistry, University of Sydney, NSW 2006, Australia.
J Phys Chem A. 2009 Sep 24;113(38):10279-83. 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 A2A''-X2A'' 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.
在氩气中烃类放电产物里已鉴定出喷射冷却的1-茚基自由基的电子光谱。通过共振双色双光子电离和激光诱导荧光光谱法在20800 - 22600 cm⁻¹区域观察到电子激发光谱。除了质荷比为117处的新光谱外，还强烈观察到了1-苯基丙炔基的光谱，以及质荷比为133的未鉴定光谱。1-茚基A²A″ - X²A″能带系统的起始带在21159 cm⁻¹处被观察到，通过光离子化效率光谱实验测定该自由基的电离势为6.578 ± 0.001 eV。对单振动能级荧光进行色散以确定基态振动频率，与量子化学计算结果相比，这些频率被用于确认自由基的身份。计算得到的基态频率和电离势，以及计算得到的1-茚基自由基起始带的色散荧光光谱，都提供了明确的化学鉴定结果。
