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Electron Binding Energy (electron + binding_energy)

Distribution by Scientific Domains
Chemistry100%

Selected Abstracts

Al3O4 and Al3O4 - Clusters: Structure, Bonding, and Electron Binding Energies

CHEMINFORM, Issue 26 2003
Ana Martinez
Abstract For Abstract see ChemInform Abstract in Full Text. [source]

Tautomeric forms of adenine: Vertical ionization energies and Dyson orbitals

INTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 10 2010
Raman K. Singh
Abstract For the MP2/6-311++g(2df,p) optimized geometry of all the 14 adenine tautomers, the first three vertical ionization energies have been calculated using several electron propagator decouplings. The corresponding Dyson orbitals provide detailed insight into the role of structural variations in different adenine tautomers. Changes in the electron binding energies and the corresponding Dyson orbital amplitudes have been correlated with tautomeric proton shifts and changes in conjugation patterns. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 [source]

Spectroscopic Characteristics of Differently Produced Single-Walled Carbon Nanotubes

CHEMPHYSCHEM, Issue 13 2009
Zhongrui Li Prof. Dr.
Abstract Single-walled carbon nanotubes (SWNTs) synthesized with different methods are investigated by using multiple characterization techniques, including Raman scattering, optical absorption, and X-ray absorption near edge structure, along with X-ray photoemission by following the total valence bands and C 1s core-level spectra. Four different SWNT materials (produced by arc discharge, HiPco, laser ablation, and CoMoCat methods) contain nanotubes with diameters ranging from 0.7 to 2.8 nm. The diameter distribution and the composition of metallic and semiconducting tubes of the SWNT materials are strongly affected by the synthesis method. Similar sp2 hybridization of carbon in the oxygenated SWNT structure can be found, but different surface functionalities are introduced while the tubes are processed. All the SWNTs demonstrate stronger plasmon resonance excitations and lower electron binding energy than graphite and multiwalled carbon nanotubes. These SWNT materials also exhibit different valence-band X-ray photoemission features, which are considerably affected by the nanotube diameter distribution and metallic/semiconducting composition. [source]

Electron Attachment to "Naked" and Microsolvated Nucleotide Anions: Detection of Long-Lived Dianions

CHEMPHYSCHEM, Issue 12 2003
Bo Liu
In-flight reduction: In 50 keV collisions between gaseous nucleotide monoanions (e.g., see figure) and sodium vapour, electron transfer from sodium to the anion occurs. Dianions survive the long flight time to the detector (,6 ,s) despite being unstable to electron autodetachment. Based on B3LYP6,311++G(2d,p)//PM3 calculations, the electron binding energy of the dianion is negative but becomes positive after internal proton transfer from the sugar to the adenine. [source]