Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine)

Journal Article · Mon Feb 07 00:00:00 EST 2011 · Journal of Chemical Physics

DOI:https://doi.org/10.1063/1.3553202· OSTI ID:21559996

Xiang, Li; Ko, Yeon-Jae; Haopeng, Wang ^[1]; Bowen, Kit H; Guevara-Garcia, Alfredo; Martinez, Ana ^[2]

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1. Department of Chemistry, Johns Hopkins University, Baltimore, Maryland 21218 (United States)
2. 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, Vol. 134, Issue 5; Other Information: DOI: 10.1063/1.3553202; (c) 2011 American Institute of Physics; ISSN 0021-9606
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
ANIONS
COMPLEXES
COPPER
COPPER COMPOUNDS
COPPER IONS
CYTIDINE
DENSITY FUNCTIONAL METHOD
ELECTROSTATICS
HYDROGEN
INTERACTIONS
ISOMERS
MOLECULES
PEAKS
PHOTOELECTRON SPECTROSCOPY
PHOTONS
SACCHAROSE
URIDINE
AZINES
BOSONS
CALCULATION METHODS
CARBOHYDRATES
CHARGED PARTICLES
DISACCHARIDES
ELECTRON SPECTROSCOPY
ELEMENTARY PARTICLES
ELEMENTS
HETEROCYCLIC COMPOUNDS
HYDROXY COMPOUNDS
IONS
MASSLESS PARTICLES
METALS
NONMETALS
NUCLEOSIDES
NUCLEOTIDES
OLIGOSACCHARIDES
ORGANIC COMPOUNDS
ORGANIC NITROGEN COMPOUNDS
PYRIMIDINES
RIBOSIDES
SACCHARIDES
SPECTROSCOPY
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
URACILS
VARIATIONAL METHODS