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Journal Article

Trapping x‐ray radiation damage from homolytic Se–C bond cleavage in BnSeSeBn crystals (Bn=benzyl, CH2C6H5)


Hecker,  F.
Research Group of Electron Paramagnetic Resonance, Max Planck Institute for Multidisciplinary Sciences, Max Planck Society;

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Schürmann, C. J., Teuteberg, T. T., Stückl, A. C., Ruth, P. N., Hecker, F., Herbst-Irmer, R., et al. (2022). Trapping x‐ray radiation damage from homolytic Se–C bond cleavage in BnSeSeBn crystals (Bn=benzyl, CH2C6H5). Angewandte Chemie International Edition, 61(26): e202203665. doi:10.1002/anie.202203665.

Cite as: https://hdl.handle.net/21.11116/0000-000A-65B6-7
Irradiation of dibenzyl diselenide BnSeSeBn with X-ray or UV-light cleaves the Se-C and the Se-Se bonds, inducing stable and metastable radical states. They are inevitably important to all natural and life sciences. Structural changes due to X-ray-induced Se-C bond-cleavage could be pin-pointed in various high-resolution X-ray diffraction experiments for the first time. Extended DFT methods were applied to characterize the solid-state structure and support the refinement of the observed residuals as contributions from the BnSeSe • radical species. The X-ray or UV-irradiated crystalline samples of BnSeSeBn were characterized by solid-state EPR. This paper provides insight that in the course of X-ray structure analysis of selenium compounds not only organo-selenide radicals like RSe • may occur, but also organo diselenide BnSeSe • radicals and organic radicals R • are generated, particularly important to know in structural biology.