Structure and dynamics of triethylamine and tripropylamine radical cations generated in AlPO4-5 by ionizing radiation: an EPR and MO study
Literature Information
Wei Liu, Shoji Yamanaka, Masaru Shiotani, Jacek Michalik, Anders Lund
An EPR study was carried out to investigate both the structure and molecular dynamics of triethylamine (Et3N) and tripropylamine (Pr3N) radical cations generated in γ-irradiated AlPO4-5 from neutral mother molecules incorporated as an organic template. Both Et3N+• and Pr3N+• radical cations were stable at 300 K and showed strongly temperature-dependent EPR spectral line-shapes in the temperature range from 77 to 300 K. The spectral change was successfully explained by assuming a two-site exchange model in which two inequivalent β-hydrogens interchange their positions with each other. The experimental spectra were quantitatively analyzed by a simulation method using the exchange rate as a variable parameter. From an Arrhenius plot of the rate constants, activation energies of 9.1 and 11.4 kJ mol−1 were evaluated for Et3N+• and Pr3N+• in AlPO4-5, respectively.
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