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

Abstract

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
Volume128
Issue number20
DOIs
StatePublished - 6 Jun 2008

Fingerprint Dive into the research topics of 'Infrared absorption spectra of vinyl radicals isolated in solid Ne'. Together they form a unique fingerprint.

Cite this