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 |
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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 |
ASJC Scopus subject areas
- Mathematical Physics
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry