Search results for "absorption."
showing 10 items of 2682 documents
Evaluation of the coupled high-resolution atmospheric chemistry model system MECO(n) using in situ and MAX-DOAS NO<sub>2</sub&am…
2021
Abstract. We present high spatial resolution (up to 2.2×2.2 km2) simulations focussed over south-west Germany using the online coupled regional atmospheric chemistry model system MECO(n) (MESSy-fied ECHAM and COSMO models nested n times). Numerical simulation of nitrogen dioxide (NO2) surface volume mixing ratios (VMRs) are compared to in situ measurements from a network with 193 locations including background, traffic-adjacent and industrial stations to investigate the model's performance in simulating the spatial and temporal variability of short-lived chemical species. We show that the use of a high-resolution and up-to-date emission inventory is crucial for reproducing the spatial varia…
Ligand-Based Charge-Transfer Luminescence in Ionic Cyclometalated Iridium(III) Complexes Bearing a Pyrene-Functionalized Bipyridine Ligand: A Joint T…
2012
Two new heteroleptic iridium(III) complexes [Ir(ppy)(2)(pyr(2)bpy)][PF(6)] ([1a][PF(6)]) and [Ir(dfppy)(2)(pyr(2)bpy)][PF(6)] ([2a][PF(6)]), where Hppy = 2-phenylpyridine, Hdfppy = 2-(3,5-difluorophenyl)pyridine, and pyr(2)bpy = 5,5'-bis(pyren-1-yl)-2,2'-bipyridine, have been synthesized and fully characterized. The single-crystal structures of pyr(2)bpy and the complexes 4{[1a][PF(6)]}·2CH(2)Cl(2)·9H(2)O and [2a][PF(6)]·0.25CH(2)Cl(2)·H(2)O have been determined. The effect of the pyrene substituents on the electronic properties is investigated through a comprehensive photophysical and theoretical study on the two complexes in comparison to reference complexes without substituents on the an…
Photophysical Properties of Charged Cyclometalated Ir(III) Complexes: A Joint Theoretical and Experimental Study
2011
The photophysical properties of a series of charged biscyclometalated [Ir(ppy)(2)(N boolean AND N)](1+) complexes, where ppyH is 2-phenylpyridine and N boolean AND N is 2,2'-bipyridine (bpy), 6-phenyl-2,2'-bipyridine (pbpy), and 6,6'-dipheny1-2,2'-bipyridine (dpbpy) for complexes 1, 2, and 3, respectively, have been investigated in detail. The photoluminescence performance in solution decreases from 1 to 3 upon attachment of phenyl groups to the ancillary ligand. The absorption spectra recorded over time suggest that complex 3 is less stable compared to complexes 1 and 2 likely due to a nucleophilic-assisted ancillary ligand-exchange reaction. To clarify this behavior, the temperature depen…
Luminescence of gamma-radiation-induced defects in alpha-quartz
2004
Optical transitions associated with gamma-radiation-induced defects in crystalline a-quartz were investigated by photoluminescence excited by both pulsed synchrotron radiation and steady-state light. After a 10 MGy gamma-dose we observed two emissions at 4.9 eV (ultraviolet band) and 2.7 eV (blue band) excitable in the range of the induced absorption band at 7.6 eV. These two luminescence bands show a different temperature dependence: the ultraviolet band becomes bright below 80 K; the blue band increases below 180 K, but drops down below 80 K. Both emissions decay in a timescale of a few ns under pulsed excitation, however the blue band could also be observed in slow recombination processe…
Time-dependent density-functional theory in the projector augmented-wave method
2008
We present the implementation of the time-dependent density-functional theory both in linear-response and in time-propagation formalisms using the projector augmented-wave method in real-space grids. The two technically very different methods are compared in the linear-response regime where we found perfect agreement in the calculated photoabsorption spectra. We discuss the strengths and weaknesses of the two methods as well as their convergence properties. We demonstrate different applications of the methods by calculating excitation energies and excited state Born–Oppenheimer potential surfaces for a set of atoms and molecules with the linear-response method and by calculating nonlinear e…
Crystal Structure and Local Dynamics in Tetrahedral Proton-Conducting La1-xBa1+xGaO4
2010
La1-xBa1+xGaO4-0 (LBG) compounds, based on unconnected GaO4 moieties, were recently proposed as proton conductors. Protonic defects in the lattice are inserted through self-doping with Ba2+, to create oxygen vacancies subsequently filled by hydroxyl ions. We present a combined structural analysis on self-doped LBG using X-ray diffraction (XRD) and X-ray absorption (EXAFS): these results unravel the finer structural details on the short-range and long-range scales, and they are correlated with the dynamical properties of protonic conduction coming from vibrational spectroscopy. The structure of the GaO4 groups is independent of the oxide composition. On hydration, an array of short intertetr…
On the demands on imaging spectrometry for the monitoring of global vegetation fluorescence from space
2013
Vegetation fluorescence when measured from space contributes only a tiny fraction of the signal coming on top of the reflected radiance by the Earth surface and the atmosphere. As a consequence, imaging spectrometers have to provide sufficient throughput and radiometric accuracy to enable accurate global monitoring of the daily to seasonal variations of the Earth's vegetation breath, which is particularly challenging if ground resolutions of a few hundred meters are targeted. Since fluorescence retrieval algorithms have to make corrections for atmospheric effects, it is necessary to provide sufficient spectral resolution, so that signal alterations due to the main parameters such as surface…
The Analysis of the Relationship between the Level of the Public Expenditure for Investments and de Degree of Development of the Society in Romania
2013
Abstract Public expenditure for development have a decisive role in Romania in the economic recovery of the country, in a first step, but at the same time taking into account the EU's objectives. Romania during 2000-2010 had the largest public investment expenditures across European countries as a share of GDP, and in 2011 was ranked second after Poland. But while the share of GDP allocated to public investment in Romania is above the average of EU countries, in the economy these expenditures have been seen too little. Looking at Lisbon Index score, which tracks the performance of member countries to achieve the objectives of the current Lisbon strategy, one can notice that Romania is on th…
A microeconometric analysis of the springboard subsidiary: The case of Spanish firms
2015
Abstract This paper provides a microeconometric analysis of the distinctive characteristics of springboard subsidiaries that have a positive impact on the subsidiaries’ performance. Based on panel data estimations for subsidiaries of European multinational companies with a presence in Spain, the authors found that if the subsidiary is located in the springboard country, then the performance improvement (increase in profit margin) of the subsidiary is about 49 percentage points. When the Spanish subsidiary is considered a springboard subsidiary, its performance is 7.7 percentage points higher than the performance of other subsidiaries that are not springboard subsidiaries. If the subsidiary …
Elastic scattering of 35Cl and 37Cl on 24Mg
1990
Abstract Elastic scattering of 35Cl and 37Cl on 24Mg was measured at two c.m. energies. Optical model analysis with different potentials are compared. Isotopics effects on absorption are observed. The closure approximation model is found to give a good reproduction of experimental data.