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

文献信息

发布日期 2001-04-05
DOI 10.1039/B100530H
影响因子 3.676
作者

Wei Liu, Shoji Yamanaka, Masaru Shiotani, Jacek Michalik, Anders Lund


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摘要

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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来源期刊

Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics
CiteScore: 5.5
自引率: 10.3%
年发文量: 3036

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.

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