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 | |
| Publication status | Published - Jun 1 1992 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physical and Theoretical Chemistry
- Mathematical Physics
- Physics and Astronomy(all)
Cite this
ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices. / Kubozono, Yoshihiro; Ata, Masafumi; Suzuki, Yasunobu; Gondo, Yasuhiko G.; Shiotani, Masaru.
In: Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences, Vol. 47, No. 6, 01.06.1992, p. 788-796.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - ESR Spectra of Para-Substituted Alkyl- and Alkenylbenzene Radical Cations in Halocarbon Matrices
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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UR - http://www.scopus.com/inward/citedby.url?scp=84945042669&partnerID=8YFLogxK
U2 - 10.1515/zna-1992-0612
DO - 10.1515/zna-1992-0612
M3 - Article
AN - SCOPUS:84945042669
VL - 47
SP - 788
EP - 796
JO - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
JF - Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
SN - 0932-0784
IS - 6
ER -