Journal ArticleDOI
Solvent-induced stabilization of the naphthalene anion by water molecules: A negative cluster ion photoelectron spectroscopic study
TLDR
In this article, it was shown that only a single water molecule is needed to stabilize the naphthalene anion, and that the EAa of Nph1−(H2O)n is −0.20 eV, consistent with determinations by electron transmission spectroscopy.Abstract:
We show that (a) only a single water molecule is needed to stabilize the naphthalene anion, (b) the EAa of naphthalene is −0.20 eV, in agreement with determinations by electron transmission spectroscopy, (c) the energetics are consistent with the number of waters required to stabilize the naphthalene anion, and (d) the excess electron is located on the naphthalene moiety of Nph1−(H2O)n.read more
Citations
More filters
Journal ArticleDOI
Atomic and molecular electron affinities: photoelectron experiments and theoretical computations.
Jonathan C. Rienstra-Kiracofe,Gregory S. Tschumper,Henry F. Schaefer,Sreela Nandi,G. Barney Ellison +4 more
TL;DR: Theoretical D determination of Electron Affinities and Statistical Analysis of DFT Results ThroughComparisons to Experiment and Other theoretical Methods and Specific Theoretical Successes 251E.
Journal ArticleDOI
Zwitterion formation in hydrated amino acid, dipole bound anions: How many water molecules are required?
TL;DR: In this article, the authors used the fact that zwitterions possess very large dipole moments and that excess electrons can bind to strong dipole fields to form dipole bound anions, which display distinctive and recognizible photoelectron spectral signatures.
Journal ArticleDOI
Electron Affinities of Polycyclic Aromatic Hydrocarbons
TL;DR: The electron affinities of benzene and four polycyclic aromatic hydrocarbons (PAHs), naphthalene, anthracene, tetracene and the perinaphthenyl radical, have been obtained using six common density functional theory (DFT) methods.
Journal ArticleDOI
Naphthyl Radical: Negative Ion Photoelectron Spectroscopy, Franck−Condon Simulation, and Thermochemistry
Kent M. Ervin,T. M. Ramond,Gustavo E. Davico,Rebecca L. Schwartz,Sean M. Casey,W. Carl Lineberger +5 more
TL;DR: In this article, a single electronic band is observed, corresponding to the neutral naphthyl radical (C 10H7, naphthalenyl), and the Franck-Condon profiles for both 1-naphthsyl (R-nphthyl) and 2-nophthyl (‚-nAPHthyl)-isomer are simulated on the basis of density functional theory calculations of the vibrational frequencies and normal coordinates.
References
More filters
Journal ArticleDOI
Photoelectron spectroscopy of hydrated electron cluster anions, (H2O)−n=2–69
James V. Coe,G. H. Lee,J. G. Eaton,Susan T. Arnold,H. W. Sarkas,Kit H. Bowen,Christoph Ludewigt,Hellmut Haberland,D. R. Worsnop +8 more
TL;DR: Etude de la variation de l'energie de photodetachement vertical en fonction de n, en vue de distinguer les agregats a electron de surface ou a electron interne solvate as mentioned in this paper.
Journal ArticleDOI
Electron Attachment Energies of the DNA Bases
TL;DR: In this article, a common range of attachment energies into the lowest orbitals is observed in all the bases, and evidence for nuclear motion during the lifetimes of the anions is found in all compounds except adenine.
Journal ArticleDOI
Studies of the temporary anion states of unsaturated hydrocarbons by electron transmission spectroscopy
Kenneth D. Jordan,Paul Burrow +1 more
Journal ArticleDOI
Photoelectron spectroscopy of Cl−, Br−, and I− solvated in water clusters
TL;DR: In this article, the photoelectron spectra of Cl−, Br−, and I−, solvated in water clusters (H2O)n, where n is 1 −7, 1 −16, and 1 −60, respectively, taken with 7.1 eV photon energy.