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EPR/ENDOR study of an X-irradiated single crystal of 1-triphenylphosphoranylidene-2-propanone : the role of hydrogen bonds in the trapping of radiogenic radical

Published inRadiation physics and chemistry, vol. 56, no. 5-6, p. 539-545
Publication date1999
Abstract

As shown from the crystal structure, the oxygen atom of Ph3P=CH---C(O)CH3 forms both intra and intermolecular hydrogen bonds. X-irradiation of this compounds produces a room-temperature-stable radical which was studied by single crystal EPR/ENDOR spectroscopy. Comparison of the experimental hyperfine couplings with those obtained from ab initio calculations shows that the radical cation Ph3P+---CH=C(OH)CH2 is formed under radiolysis. The principal directions of the hyperfine tensors indicate that, in this process, some of the hydrogen bonds are broken and that the radical undergoes a drastic reorientation around the Ph3P---C bond.

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BERCLAZ, Théo et al. EPR/ENDOR study of an X-irradiated single crystal of 1-triphenylphosphoranylidene-2-propanone : the role of hydrogen bonds in the trapping of radiogenic radical. In: Radiation physics and chemistry, 1999, vol. 56, n° 5-6, p. 539–545. doi: 10.1016/S0969-806X(99)00295-9
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ISSN of the journal0146-5724
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