Structure and dynamics of triethylamine and tripropylamine radical cations generated in AlPO4-5 by ionizing radiation : an EPR and MO study

An EPR study was carried out to investigate both the structure and molecular dynamics of triethylamine (Et3N) and tripropylamine (Pr3N) radical cations generated in gamma -irradiated AlPO4-5 from neutral mother molecules incorporated as an organic template. Both Et3N+. and Pr3N+. radical cations wer...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2001, Vol.3 (9), p.1611-1616
Main Authors: WEI LIU, YAMANAKA, Shoji, SHIOTANI, Masaru, MICHALIK, Jacek, LUND, Anders
Format: Article
Language:English
Subjects:
Atomic and molecular physics
Exact sciences and technology
Fine and hyperfine structure
Molecular properties and interactions with photons
Physics
Properties of molecules and molecular ions
TECHNOLOGY
TEKNIKVETENSKAP
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Summary:An EPR study was carried out to investigate both the structure and molecular dynamics of triethylamine (Et3N) and tripropylamine (Pr3N) radical cations generated in gamma -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 beta -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.
ISSN:1463-9076
1463-9084
1463-9084
DOI:10.1039/b100530h