Electron magnetic resonance study of stable radicals in irradiated D-fructose single crystals
Literature Information
Gauthier Vanhaelewyn, Philippe Lahorte, Frank De Proft, Wim Mondelaers, Paul Geerlings, Freddy Callens
The electron paramagnetic resonance (EPR) spectra of irradiated mono and oligosaccharides are very complex because of their multicomponent character. A multivariate statistical method called MLCFA (maximum likelihood common factor analysis) predicts at least four components contributing to the total EPR spectrum of irradiated D-fructose powder at room temperature. To elucidate the nature of the induced paramagnetic defects, we have applied magnetic resonance techniques to irradiated D-fructose single crystals. After X-irradiation the single crystals have been investigated with electron nuclear double resonance (ENDOR) and ENDOR induced EPR (EI-EPR) at 60 K. Two dominant EPR components could be isolated and interpreted in terms of three non-equivalent proton splittings. By comparing the experimental proton hyperfine tensors with the corresponding quantities calculated using density functional theory, a plausible structure for the two detected radicals will be presented.
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Physical Chemistry Chemical Physics

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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