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

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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

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Kubozono, Y., Miyamoto, T., Shinmyozu, T., Aoyagi, M., Gondo, Y., Takemura, H., & Shiotani, M. (1993). An ESR and MO study of the butatriene and tetramethylbutatriene radical cations. Spectrochimica Acta Part A: Molecular Spectroscopy, 49(8), 1187-1190. https://doi.org/10.1016/0584-8539(93)80078-O

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AU - Gondo, Y.

AU - Takemura, H.

AU - Shiotani, M.

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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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10.1016/0584-8539(93)80078-O