Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine)
- Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States)
- Departamento de Materia Condensada y Criogenia. Instituto de Investigaciones en Materiales, Universidad Nacional Autonoma de Mexico, Coyoacan 04510, D.F. Mexico (Mexico)
The copper-nucleoside anions, Cu{sup -}(cytidine) and Cu{sup -}(uridine), have been generated in the gas phase and studied by both experimental (anion photoelectron spectroscopy) and theoretical (density functional calculations) methods. The photoelectron spectra of both systems are dominated by single, intense, and relatively narrow peaks. These peaks are centered at 2.63 and 2.71 eV for Cu{sup -}(cytidine) and Cu{sup -}(uridine), respectively. According to our calculations, Cu{sup -}(cytidine) and Cu{sup -}(uridine) species with these peak center [vertical detachment energy (VDE)] values correspond to structures in which copper atomic anions are bound to the sugar portions of their corresponding nucleosides largely through electrostatic interactions; the observed species are anion-molecule complexes. The combination of experiment and theory also reveal the presence of a slightly higher energy, anion-molecule complex isomer in the case of the Cu{sup -}(cytidine). Furthermore, our calculations found that chemically bond isomers of these species are much more stable than their anion-molecule complex counterparts, but since their calculated VDE values are larger than the photon energy used in these experiments, they were not observed.
- OSTI ID:
- 21559996
- Journal Information:
- Journal of Chemical Physics, Journal Name: Journal of Chemical Physics Journal Issue: 5 Vol. 134; ISSN JCPSA6; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
74 ATOMIC AND MOLECULAR PHYSICS
ANIONS
AZINES
BOSONS
CALCULATION METHODS
CARBOHYDRATES
CHARGED PARTICLES
COMPLEXES
COPPER
COPPER COMPOUNDS
COPPER IONS
CYTIDINE
DENSITY FUNCTIONAL METHOD
DISACCHARIDES
ELECTRON SPECTROSCOPY
ELECTROSTATICS
ELEMENTARY PARTICLES
ELEMENTS
HETEROCYCLIC COMPOUNDS
HYDROGEN
HYDROXY COMPOUNDS
INTERACTIONS
IONS
ISOMERS
MASSLESS PARTICLES
METALS
MOLECULES
NONMETALS
NUCLEOSIDES
NUCLEOTIDES
OLIGOSACCHARIDES
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PEAKS
PHOTOELECTRON SPECTROSCOPY
PHOTONS
PYRIMIDINES
RIBOSIDES
SACCHARIDES
SACCHAROSE
SPECTROSCOPY
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
URACILS
URIDINE
VARIATIONAL METHODS