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

Abstract

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.

Authors:
; ;  [1]; ; ;  [2]
  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)
Publication Date:
OSTI Identifier:
21559996
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 134; Journal Issue: 5; Other Information: DOI: 10.1063/1.3553202; (c) 2011 American Institute of Physics
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Li Xiang, Ko, Yeon-Jae, Wang Haopeng, Bowen, Kit H., Guevara-Garcia, Alfredo, and Martinez, Ana. Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine). United States: N. p., 2011. Web. doi:10.1063/1.3553202.
Li Xiang, Ko, Yeon-Jae, Wang Haopeng, Bowen, Kit H., Guevara-Garcia, Alfredo, & Martinez, Ana. Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine). United States. doi:10.1063/1.3553202.
Li Xiang, Ko, Yeon-Jae, Wang Haopeng, Bowen, Kit H., Guevara-Garcia, Alfredo, and Martinez, Ana. 2011. "Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine)". United States. doi:10.1063/1.3553202.
@article{osti_21559996,
title = {Photoelectron and computational studies of the copper-nucleoside anionic complexes, Cu{sup -}(cytidine) and Cu{sup -}(uridine)},
author = {Li Xiang and Ko, Yeon-Jae and Wang Haopeng and Bowen, Kit H. and Guevara-Garcia, Alfredo and Martinez, Ana},
abstractNote = {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.},
doi = {10.1063/1.3553202},
journal = {Journal of Chemical Physics},
number = 5,
volume = 134,
place = {United States},
year = 2011,
month = 2
}