An ESR and MO study of the butatriene and tetramethylbutatriene radical cations

Y. Kubozono, T. Miyamoto, T. Shinmyozu, M. Aoyagi, Y. Gondo, H. Takemura, M. Shiotani

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The radical cations of butatriene (BT+•) and tetramethylbutatriene (TMBT+•) have been stabilized in low-temperature halocarbon matrices and studied by ESR spectroscopy. The spectra of BT+• and TMBT+• exhibit isotropic hyperfine splittings of 8.3 G (4H) and 13.0 G (12H), respectively. The skew angles of BT+• (25°) and TMBT+• (50°) are estimated by comparing the experimental hyperfine splittings with those obtained by semiempirical MO calculations.

Original languageEnglish
Pages (from-to)1187-1190
Number of pages4
JournalSpectrochimica Acta Part A: Molecular Spectroscopy
Issue number8
Publication statusPublished - Jul 1993


ASJC Scopus subject areas

  • Engineering(all)

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