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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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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YAMANAKA, Shoji
SHIOTANI, Masaru
MICHALIK, Jacek
LUND, Anders
description 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.
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source Royal Society of Chemistry: Jisc Collections: Journals Archive 1841-2007 (2019-2023)
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
title Structure and dynamics of triethylamine and tripropylamine radical cations generated in AlPO4-5 by ionizing radiation : an EPR and MO study
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