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

Abstract

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 (P10^-18 m²). Anion cross sections versus electron energy reveal structures interpreted using the anion energy thresholds found by DFT calculations.

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