Electronic structure and spectra of acrylic acid in the vapor and condensed phases.
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概要
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Near and vacuum UV absorption spectra of acrylic acid were measured at room temperature in the vapor phase and at 77 K in the condensed phase. From a comparative study of the observed spectra, a Rydberg excitation band was observed at 7.46 eV in addition to valence-shell transition bands. The estimated value of the quantum defect (δ=1.01) indicates that the Rydberg orbital is 3s. A new modified CNDO-CI method applicable to planar molecules was developed and applied to acrylic acid to investigate the valence-shell transitions, the observed bands at ∼5.0 and 6.71 eV being assigned to the transitions to the n-π<SUP>*</SUP> and π-π<SUP>*</SUP>, respectively.
- 公益社団法人 日本化学会の論文
著者
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Fuke Kiyokazu
The Institute for Solid State Physics, The University of Tokyo
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Nagakura Saburo
The Institute for Molecular Science
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Morita Hiroshi
The Institute for Solid State Physics, The University of Tokyo
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