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• W2052517063 abstract "The neutral open-shell species C13H9 formed from fluorene, C13H10, by low-energy electron bombardment and by ultraviolet photolysis in an argon matrix at 12 K has been studied via preresonance Raman, infrared, and ultraviolet/visible spectroscopy. Density functional theory calculations (B3LYP/6-31G(d,p)) of the CH bond energies of neutral fluorene showed that the most probable position for the hydrogen loss is the sp3 carbon in the five-membered ring. Calculations of the C13H9 harmonic vibrational frequencies are shown to match the experimental Raman (and infrared) bands well. A new electronic transition is identified at 283.1 nm (4.38 eV). Its position agrees with earlier time-dependent density functional theory calculations. Oscillator strengths for this transition and three others are estimated. The electronic transitions in the dehydrogenated species, C13H9, are strongly red-shifted compared to fluorene." @default.
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• W2052517063 date "2002-07-09" @default.
• W2052517063 modified "2023-09-27" @default.
• W2052517063 title "Preresonance Raman Spectrum of the C₁₃H₉ Fluorene-like Radical" @default.
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• W2052517063 doi "https://doi.org/10.1021/jp020827a" @default.
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