ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices

Yoshihiro Kubozono; Masafumi Ata; Yasunobu Suzuki; Yasuhiko G. Gondo; Masaru Shiotani

doi:10.1515/zna-1992-0612

ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices

Yoshihiro Kubozono, Masafumi Ata, Yasunobu Suzuki, Yasuhiko G. Gondo, Masaru Shiotani

Research output: Contribution to journal › Article

Abstract

The ESR spectra of several para-substituted alkyl- and alkenylbenzene radical cations generated by 60Co y-ray irradiation in halocarbon matrices at 77 K have been studied with the aid of semiempirical MO calculations. It has been found that the ethyl conformation of 1, 4-diethylbenzene radical cation (1, 4-DEB + ) in CC12FCC1F2 is largely different from that in CC13CF3. Further the ethyl and n-propyl groups in 4-ethyltoluene and 4-n-propyltoluene radical cations in CC12FCC1F2 take different conformations from that of 1, 4-DEB +:The conformations of the alkylbenzene radical cations depend strongly both on the matrices and on the substituent groups. A peculiar radiolytical reaction of 1, 4-diisopropylbenzene to a deprotonation-type neutral radical in CC12FCC1F2 has been found, similarly to the case of photolysis.

Original language	English
Pages (from-to)	788-796
Number of pages	9
Journal	Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
Volume	47
Issue number	6
DOIs	https://doi.org/10.1515/zna-1992-0612
Publication status	Published - Jun 1 1992
Externally published	Yes

ASJC Scopus subject areas

Mathematical Physics
Physics and Astronomy(all)
Physical and Theoretical Chemistry

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Kubozono, Y., Ata, M., Suzuki, Y., Gondo, Y. G., & Shiotani, M. (1992). ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices. Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, 47(6), 788-796. https://doi.org/10.1515/zna-1992-0612

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title = "ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices",

abstract = "The ESR spectra of several para-substituted alkyl- and alkenylbenzene radical cations generated by 60Co y-ray irradiation in halocarbon matrices at 77 K have been studied with the aid of semiempirical MO calculations. It has been found that the ethyl conformation of 1, 4-diethylbenzene radical cation (1, 4-DEB + ) in CC12FCC1F2 is largely different from that in CC13CF3. Further the ethyl and n-propyl groups in 4-ethyltoluene and 4-n-propyltoluene radical cations in CC12FCC1F2 take different conformations from that of 1, 4-DEB +:The conformations of the alkylbenzene radical cations depend strongly both on the matrices and on the substituent groups. A peculiar radiolytical reaction of 1, 4-diisopropylbenzene to a deprotonation-type neutral radical in CC12FCC1F2 has been found, similarly to the case of photolysis.",

author = "Yoshihiro Kubozono and Masafumi Ata and Yasunobu Suzuki and Gondo, {Yasuhiko G.} and Masaru Shiotani",

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AU - Kubozono, Yoshihiro

AU - Ata, Masafumi

AU - Suzuki, Yasunobu

AU - Gondo, Yasuhiko G.

AU - Shiotani, Masaru

PY - 1992/6/1

Y1 - 1992/6/1

N2 - The ESR spectra of several para-substituted alkyl- and alkenylbenzene radical cations generated by 60Co y-ray irradiation in halocarbon matrices at 77 K have been studied with the aid of semiempirical MO calculations. It has been found that the ethyl conformation of 1, 4-diethylbenzene radical cation (1, 4-DEB + ) in CC12FCC1F2 is largely different from that in CC13CF3. Further the ethyl and n-propyl groups in 4-ethyltoluene and 4-n-propyltoluene radical cations in CC12FCC1F2 take different conformations from that of 1, 4-DEB +:The conformations of the alkylbenzene radical cations depend strongly both on the matrices and on the substituent groups. A peculiar radiolytical reaction of 1, 4-diisopropylbenzene to a deprotonation-type neutral radical in CC12FCC1F2 has been found, similarly to the case of photolysis.

AB - The ESR spectra of several para-substituted alkyl- and alkenylbenzene radical cations generated by 60Co y-ray irradiation in halocarbon matrices at 77 K have been studied with the aid of semiempirical MO calculations. It has been found that the ethyl conformation of 1, 4-diethylbenzene radical cation (1, 4-DEB + ) in CC12FCC1F2 is largely different from that in CC13CF3. Further the ethyl and n-propyl groups in 4-ethyltoluene and 4-n-propyltoluene radical cations in CC12FCC1F2 take different conformations from that of 1, 4-DEB +:The conformations of the alkylbenzene radical cations depend strongly both on the matrices and on the substituent groups. A peculiar radiolytical reaction of 1, 4-diisopropylbenzene to a deprotonation-type neutral radical in CC12FCC1F2 has been found, similarly to the case of photolysis.

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