Spectroscopic Observation of the Resonance-Stabilized 1-Phenylpropargyl Radical

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• 作者：Neil J. Reilly ; Damian L. Kokkin ; Masakazu Nakajima ; Klaas Nauta ; Scott H. Kable ; Timothy W. Schmidt
• 刊名：Journal of the American Chemical Society
• 出版年：2008
• 出版时间：March 12, 2008
• 年：2008
• 卷：130
• 期：10
• 页码：3137 - 3142
• 全文大小：145K
• 年卷期：v.130,no.10(March 12, 2008)
• ISSN：1520-5126

文摘

The gas-phase laser-induced fluorescence (LIF) spectrum of a 1-phenylpropargyl radical hasbeen identified in the region 20800-22000 cm^-1 in a free jet. The radical was produced from dischargesof hydrocarbons including benzene. Disregarding C₂, C₃, and CH, this radical appears as the most stronglyfluorescing product in a visible wavelength two-dimensional fluorescence excitation-emission spectrumof a jet-cooled benzene discharge. The structure of the carrier was elucidated by measurement of a matchingresonant two-color two-photon ionization spectrum at m/z = 115 and density functional theory. Theassignment was proven conclusively by observation of the same excitation spectrum from a low-currentdischarge of 3-phenyl-1-propyne. The apparent great abundance of the 1-phenylpropargyl radical indischarges of benzene and, more importantly, 1-hexyne may further underpin the proposed importance ofthe propargyl radical in the formation of complex hydrocarbons in combustion and circumstellar environments.