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.
|Number of pages
|Zeitschrift fur Naturforschung - Section A Journal of Physical Sciences
|Published - Jun 1 1992
ASJC Scopus subject areas
- Mathematical Physics
- General Physics and Astronomy
- Physical and Theoretical Chemistry