High-resolution photoelectron spectra of the pyrimidine-type nucleobases

Journal Article · Sun Jun 14 00:00:00 EDT 2015 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.4922310· OSTI ID:22415973

Fulfer, K. D.; Hardy, D.; Aguilar, A. A. ^[1]

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1. Advanced Light Source, Lawrence Berkeley National Laboratory, Berkeley, California 94720 (United States)

High-resolution photoelectron spectra of the gas phase pyrimidine-type nucleobases, thymine, uracil, and cytosine, were collected using synchrotron radiation over the photon energy range 17 ≤ hν ≤ 150 eV. These data provide the highest resolution photoelectron spectra of thymine, uracil, and cytosine published to date. By comparing integrated regions of the energy dependent photoelectron spectra of thymine, the ionization potentials of the first four ionic states of thymine were estimated to be 8.8, 9.8, 10.3, and 10.8 eV. The thymine data also show evidence for low energy shape resonances in three of the outermost valence electronic states. Comparing the uracil spectrum with the thymine spectrum, the four outermost valence electronic states of uracil likely begin at binding energies 9.3, 9.9, 10.5, and 11.0 eV. High-resolution spectra indicate only one tautomeric form of cytosine contributes significantly to the spectrum with the four outermost valence electronic states beginning at binding energies 8.9, 9.9, 10.4, and 10.85 eV.

• OSTI ID: 22415973
• Journal Information: Journal of Chemical Physics, Vol. 142, Issue 22; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

71 CLASSICAL AND QUANTUM MECHANICS
GENERAL PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
BINDING ENERGY
CHEMICAL BONDS
COMPARATIVE EVALUATIONS
CYTOSINE
ELECTRONIC STRUCTURE
ENERGY DEPENDENCE
EV RANGE
PHOTOELECTRON SPECTROSCOPY
PHOTONS
POTENTIALS
PYRIMIDINES
RESONANCE
SYNCHROTRON RADIATION
THYMINE