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Dissociative photoionization of heterocyclic molecule-morpholine under VUV synchrotron radiation

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The radiation damage of biomolecules, in particular with aliphatic compound, has been extensively studied. Morpholine is a typical six-membered aliphatic heterocyclic compound. In the present work, photoionization and dissociation of… Click to show full abstract

The radiation damage of biomolecules, in particular with aliphatic compound, has been extensively studied. Morpholine is a typical six-membered aliphatic heterocyclic compound. In the present work, photoionization and dissociation of the morpholine monomer and subsequent fragmentations have been investigated by synchrotron vacuum ultraviolet photoionization mass spectrometry and theoretical calculations. The vertical ionization energy of morpholine monomer is 8.37 $\pm$ 0.05 eV, which agrees reasonably well with a theoretical value 8.41 eV of morpholine. Experimentally observed fragmentation of morpholine ( $m/z$ =87 amu) gives rise to $m/z$ =86 amu, $m/z$ =57 amu, and $m/z$ =29 amu. Based on experimental and theoretical results, it is found that the $m/z$ =86 amu is produced by losing H atom, the $m/z$ =57 amu is formed by the elimination of CH $_2$ O with a ring-opening process, the $m/z$ =29 amu is generated by further dissociation of the fragment $m/z$ =57 amu (C $_3$ H $_7$ N) $.+$ by the elimination of C $_2$ H $_4$ . This finding would provide valuable insight into the photo-damage of aliphatic compounds, which may be related to living cells and other biological system.

Keywords: heterocyclic; dissociative photoionization; radiation; amu; morpholine

Journal Title: Chinese Journal of Chemical Physics
Year Published: 2019

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