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Z. Phys. Chem. 221 (2007) 723–749 / DOI 10.1524/zpch.2007.221.5.723 © by Oldenbourg Wissenschaftsverlag, München Comparison of Photoelectron-Spectroscopy Results to Ab-Initio and Density Functional Calculations: The Ethylbenzene Cation By F. Lehrer1, 2, R. Weinkauf1 , ∗, and A. Metsala1 , 3 1 Institut für Physikalische Chemie, Heinrich Heine Universität Düsseldorf, Universitätsstr. 1, D-40225 Düsseldorf, Germany 2 Present address: Deutsches Patentamt München, Germany 3 Institute of Chemistry at Tallinn Technical University, Ehitajate tee 5, 19086, Tallinn

graphite, is a perspective unit for the construction of these materials and a good model system for the investigation of their interaction with lithium. Particularly, it has been shown that adsorption of lithium on both graphene sides increases the specific capacity almost twice as compared to graphite [ 4 ]. In a nanostructured material, lithium can adsorb on the surface and intercalate between graphene layers or into the graphene-metal interface space of a multicomponent system. X-ray photoelectron spectroscopy (XPS) can help to understand these processes by studying

Zeitschrift für Physikalische Chemie Neue Folge, Bd. 116, S. 57-62 (1979) © by Akademische Verlagsgesellschaft, Wiesbaden 1979 Photoelectron Spectroscopy of Metal Dihydrides By J. H. Weaver and D. T. Peterson Synchrotron Radiation Center, University of Wisconsin-Madison Stoughton, Wisconsin 53589 USA and Ames Laboratory, U. S. Department of Energy and Department of Materials Science, Iowa State University, Ames, Iowa 50011 USA (Received January 15, 1979) Photoelectron spectroscopy studies / Dihydrides We have used synchrotron radiation for photoelectron

energy levels (highest occupied orbitals) are 1----1----11030 cm 1027 13.39 369 8 Ei/eV Fig. 1. He I photoelectron spectrum of 2-phenyloxirane with the B system in high resolution. 0340-4811 / 84 / 1200-1230 $ 01.30/0. - Please order a reprint rather than making your own copy. 1232 H. Güsten et al. ■ Photoelectron Spectroscopy of Heteroeycles Fig. 3. He I photoelectron spectra of phenyl substituted ethenes: styrene (1), 1,1-diphenylethene (2), cis-stilbene (3), trans-stilbene (4), triphenylethene (5) and tetraphenyl- ethene (6). concerned. With this in mind we

Discussion The He I PE spectra of 1 — 4 are reproduced in Figs. 1 — 4, respectively. The experimental vertical ionization energies {EjeV) are listed at the top of I. Novak, L. Klasinc, and J. V. Knop • Photoelectron Spectroscopy of Heterocycles 887 the corresponding band systems. The assignment of individual low energy systems is indicated below, according to standard notation. The canonical SCF MO energies (in eV) of the ground state of 1 — 4 calculated for different trans conformations defined by the angle of twist # are given in Table 1. In Table 1 are also

Notizen 247 Photoelectron Spectroscopy of Heterocycles. Polypyridines I. Novak and L. Klasinc* "Rud jer Boskov ic " Institute and Faculty of Science, University of Zagreb, Zagreb, Yugoslavia Z. Naturforsch. 33a, 2 4 7 - 2 4 8 (1978); received November 25, 1977 The photoelectron (PE) spectra of 2,2'-bipyridine 1, 2 ,2 ' :6 ' ,2"-terpyridine 2, and 2,2 ' ,2" ,2" / - tetrapyridine 3 have been measured using H e I radiation. For 1 — 3 standard SCF LCAO MO calculations wer also performed. Comparison of P E spectra and these calculations allowed the

techniques are employed, including single-crystal XRD, EPMA, and X-ray photoelectron spectroscopy (XPS). Coupled substitutions in chevkinite To facilitate the description of compositional data and site occupancies in the Nb-rich chevkinite-(Ce) described here, we outline the coupled substitutions that are likely to be relevant. Initially, we do not consider the possibility of structural vacancies at metal sites ( Holtstam et al. 2017 ), but focus on end-members that are likely to control Nb incorporation into chevkinite. An important constraint is that for


In this study, povidone-iodine (PVP-I) has been formulated as a topical spray to produce a thin film for the controlled release of I2. By means of experimental design, 27 formulations containing glycerol, ethanol, PEG 400, copovidone and HFA 134a as a propellant were prepared. The pH values of all formulations were in the range of 6-7. The viscosity was within the range of 11.9-85.9 mPa s. The surface tensions were 20.3 to 24.6 mN m-1 and the contact angles were between 19.3 and 38.7°. The assays for the iodine contents were within acceptable range (80-120 %). X-ray photoelectron spectroscopy analysis revealed the ionized form of iodine was much higher than the unionized form. The MIC and MBC values of the PVP-I sprays against Staphylococcus aureus, S. epidermidis and Pseudomonas aeruginosa were higher than that of commercial PVP-I solution. The cytotoxicity study confirmed that the PVP-I spray had lower toxic effects on keratinocytes and fibroblasts compared to the commercial PVP-I solution. The formulation containing 59 % ethanol, 18 % copovidone and 12 % PEG 400 showed good antibacterial activity.

Z. Phys. Chem. 221 (2007) 609–618 / DOI 10.1524/zpch.2007.221.5.609 © by Oldenbourg Wissenschaftsverlag, München Photodetachment Photoelectron Spectroscopy of the Weakly Bound OClO−• H2O Complex By Martin Tschurl and Ulrich Boesl∗ Technical University of Munich, Chemistry Department, Physical Chemistry, D-85747 Garching, Germany Dedicated to Prof. Dr. Dr. h. c. Edward William Schlag on the occasion of his 75th birthday (Received January 31, 2007; accepted in revised form February 12, 2007) Photodetachment / Photoelectron Spectroscopy / Electron Affinity

compleximetric titration, polarography, and anodic stripping voltametry (Zirino and Kounaves 1980). Such methods are not suitable for a solid-state analysis of wood tissues. This paper reports our investigations into the use of X- ray photoelectron spectroscopy (XPS) to determine the forms of copper present in Cu-N-treated wood and the impact of post treatment steaming on the stability of Cu-N in treated wood. XPS is a well-established solid-state spec- troscopic technique, routinely used to determine the atomic composition and the valence states of elements present on the