Infrared absorption spectra of vinyl radicals isolated in solid Ne

Yu Jong Wu*, Meng Yeh Lin, Bing Ming Cheng, Hui Fen Chen, Yuan-Pern Lee

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

35 Scopus citations


Irradiation of samples of solid Ne near 3.0 K containing ethene (C 2H4) with vacuum ultraviolet radiation at 120 nm from synchrotron yielded new spectral lines at 3141.0, 2953.6, 2911.5, 1357.4, 677.1, 895.3, and 857.0 cm-1. These features are assigned to α-CH stretching (ν1), CH2 antisymmetric stretching (ν2), CH 2 symmetric stretching (ν3), CH2-bending (ν5), HCCH cis bending (ν7), CH2 out-of-plane bending (ν8), and α-CH out-of-plane bending (ν9) modes of C2H3, respectively, based on results of 13C- and D-isotopic experiments and quantum-chemical calculations. These calculations using density-functional theory (B3LYP and PW91PW91/aug-cc-pVTZ) predict vibrational wavenumbers, IR intensities, and isotopic ratios of vinyl radical that agree satisfactorily with our experimental results.

Original languageEnglish
Article number204509
JournalJournal of Chemical Physics
Issue number20
StatePublished - 6 Jun 2008

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