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

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

Research output: Contribution to journalArticle

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Abstract

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
Volume49
Issue number8
DOIs
Publication statusPublished - 1993

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Halocarbons
Paramagnetic resonance
Positive ions
Spectroscopy
Temperature

ASJC Scopus subject areas

  • Engineering(all)

Cite this

An ESR and MO study of the butatriene and tetramethylbutatriene radical cations. / Kubozono, Yoshihiro; Miyamoto, T.; Shinmyozu, T.; Aoyagi, M.; Gondo, Y.; Takemura, H.; Shiotani, M.

In: Spectrochimica Acta Part A: Molecular Spectroscopy, Vol. 49, No. 8, 1993, p. 1187-1190.

Research output: Contribution to journalArticle

Kubozono, Yoshihiro ; Miyamoto, T. ; Shinmyozu, T. ; Aoyagi, M. ; Gondo, Y. ; Takemura, H. ; Shiotani, M. / An ESR and MO study of the butatriene and tetramethylbutatriene radical cations. In: Spectrochimica Acta Part A: Molecular Spectroscopy. 1993 ; Vol. 49, No. 8. pp. 1187-1190.
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