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

doi:10.1016/0584-8539(93)80078-O

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

Research Institute for Interdisciplinary Science

Research output: Contribution to journal › Article › peer-review

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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 language	English
Pages (from-to)	1187-1190
Number of pages	4
Journal	Spectrochimica Acta Part A: Molecular Spectroscopy
Volume	49
Issue number	8
DOIs	https://doi.org/10.1016/0584-8539(93)80078-O
Publication status	Published - Jul 1993

ASJC Scopus subject areas

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AU - Kubozono, Y.

AU - Miyamoto, T.

AU - Shinmyozu, T.

AU - Aoyagi, M.

AU - Gondo, Y.

AU - Takemura, H.

AU - Shiotani, M.

PY - 1993/7

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AB - 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.

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

Abstract

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