The structure and dynamics of 1,3,5-cycloheptatriene and 1,3-cycloheptadiene radical cations in low-temperature matrices. An ESR investigation

Yoshihiro Kubozono, Tatsuya Miyamoto, Makoto Aoyagi, Masafumi Ata, Yoshihisa Matsuda, Yasuhiko Gondo, Hiroshi Nakamura, Taku Matsuo

Research output: Contribution to journal › Article

4 Citations (Scopus)

Abstract

ESR spectra of the radical species derived from 60Co γ-ray irradiation of 1,3,5-cycloheptatriene (1,3,5-CYT) and 1,3-cycloheptadiene (1,3-CYD) in halocarbon matrices have been studied in the temperature range 70-103 K. Ring inversion across the molecular plane occurs in the radical cation 1,3,5-CYT+{radical dot} in CCl3CF3, the activation energy being 1.7 kcal/mol. Above 90 K, 1,3,5-CYT+{radical dot} is deprotonated thermally in CCl2FCClF2. No dynamical effect has been observed for 1,3-CYD+{radical dot}.

Original languageEnglish
Pages (from-to)421-426
Number of pages6
JournalChemical Physics
Volume160
Issue number3
DOIs
Publication statusPublished - Mar 15 1992
Externally publishedYes

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Halocarbons
Paramagnetic resonance
Cations
Activation energy
Irradiation
cations
matrices
Temperature
halocarbons
rays
tropilidine
inversions
activation energy
irradiation
rings

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Spectroscopy
  • Atomic and Molecular Physics, and Optics

Cite this

The structure and dynamics of 1,3,5-cycloheptatriene and 1,3-cycloheptadiene radical cations in low-temperature matrices. An ESR investigation. / Kubozono, Yoshihiro; Miyamoto, Tatsuya; Aoyagi, Makoto; Ata, Masafumi; Matsuda, Yoshihisa; Gondo, Yasuhiko; Nakamura, Hiroshi; Matsuo, Taku.

In: Chemical Physics, Vol. 160, No. 3, 15.03.1992, p. 421-426.

Research output: Contribution to journal › Article

Kubozono, Y, Miyamoto, T, Aoyagi, M, Ata, M, Matsuda, Y, Gondo, Y, Nakamura, H & Matsuo, T 1992, 'The structure and dynamics of 1,3,5-cycloheptatriene and 1,3-cycloheptadiene radical cations in low-temperature matrices. An ESR investigation', Chemical Physics, vol. 160, no. 3, pp. 421-426. https://doi.org/10.1016/0301-0104(92)80009-K
Kubozono Y, Miyamoto T, Aoyagi M, Ata M, Matsuda Y, Gondo Y et al. The structure and dynamics of 1,3,5-cycloheptatriene and 1,3-cycloheptadiene radical cations in low-temperature matrices. An ESR investigation. Chemical Physics. 1992 Mar 15;160(3):421-426. https://doi.org/10.1016/0301-0104(92)80009-K
Kubozono, Yoshihiro ; Miyamoto, Tatsuya ; Aoyagi, Makoto ; Ata, Masafumi ; Matsuda, Yoshihisa ; Gondo, Yasuhiko ; Nakamura, Hiroshi ; Matsuo, Taku. / The structure and dynamics of 1,3,5-cycloheptatriene and 1,3-cycloheptadiene radical cations in low-temperature matrices. An ESR investigation. In: Chemical Physics. 1992 ; Vol. 160, No. 3. pp. 421-426.
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AU - Miyamoto, Tatsuya

AU - Aoyagi, Makoto

AU - Ata, Masafumi

AU - Matsuda, Yoshihisa

AU - Gondo, Yasuhiko

AU - Nakamura, Hiroshi

AU - Matsuo, Taku

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AB - ESR spectra of the radical species derived from 60Co γ-ray irradiation of 1,3,5-cycloheptatriene (1,3,5-CYT) and 1,3-cycloheptadiene (1,3-CYD) in halocarbon matrices have been studied in the temperature range 70-103 K. Ring inversion across the molecular plane occurs in the radical cation 1,3,5-CYT+{radical dot} in CCl3CF3, the activation energy being 1.7 kcal/mol. Above 90 K, 1,3,5-CYT+{radical dot} is deprotonated thermally in CCl2FCClF2. No dynamical effect has been observed for 1,3-CYD+{radical dot}.

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