Low energy electron impact on gas phase 5-nitrouracil

Abouaf, Robert; Ptasinska, Sylwia and Teillet-Billy, Dominique (2008). Low energy electron impact on gas phase 5-nitrouracil. Chemical Physics Letters, 455 pp. 169–173.

DOI: https://doi.org/10.1016/j.cplett.2008.02.104


Excitation of the first electronic states, vibrational excitation between 1 and 3 eV, and negative ion formation
(0–2 eV) in gas phase 5-nitrouracil are presented. Five singlet states are clearly identified at
4.76; 5.72; 6.82; 7.82 and 9.2 eV. A band at 3.7 eV could be assigned to a triplet state. The vibrational
modes observed indicate resonant states having both p* and r* character. The most intense anions
(MNO2), (MH) appear at zero energy with huge cross sections (P1018 m2). Anion cross sections
versus electron energy reveal structures interpreted using the anion energy thresholds found by DFT
2008 Elsevier B.V. All rights reserved.

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