Search results for "Surface Analysis"
showing 10 items of 48 documents
Property loss potentials for European midlatitude storms in a changing climate
2007
[1] Winter storms of the midlatitudes are an important factor for property losses caused by natural hazards over Europe. The storm series in early 1990 and late 1999 led to enormous economic damages and insured claims. Although significant trends in North Atlantic/European storm activity have not been identified for the last few decades, recent studies provide evidence that under anthropogenic climate change the number of extreme storms could increase, whereas the total number of cyclones may be slightly reduced. In this study, loss potentials derived from an ensemble of climate models using a simple storm damage model under climate change conditions are shown. For the United Kingdom and Ge…
Synthesis and X-ray Crystal Structure Analysis of Substituted 1,2,4-Triazolo [4’,3’:2,3]pyridazino[4,5-b]indole and Its Precursor
2023
The hit compound 1,2,4-triazolo[4’,3’:2,3]pyridazino[4,5-b]indole 3 was synthesized from the reflux of 4-amino-5-indolyl-1,2,4-triazole-3-thione 1 with 4′-bromoacetophenone 2 in methanol catalyzed by concentrated HCl and the desired final molecule was obtained by recrystallization from methanol. The suggested structures of compounds 1 and 3 based on the spectral characterizations were confirmed by X-ray single crystal diffraction analysis. Compound 3 crystallized in the triclinic crystal system and P-1 space group with a = 5.9308(2) Å, b = 10.9695(3) Å, c = 14.7966(4) Å, α = 100.5010(10)°, β = 98.6180(10)°, and γ = 103.8180(10)°. On the other hand, the crystal system of 1 is monoclinic, whe…
Temperature-dependent polymorphism of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide: experimental and theoretical studies on int…
2014
X-ray analysis of N-(4-fluorophenyl)-1,5-dimethyl-1H-imidazole-4-carboxamide 3-oxide reveals the temperature-dependent polymorphism associated with the crystallographic symmetry conversion. The observed crystal structure transformation corresponds to a symmetry reduction from I41 /a (I) to P43 (II) space groups. The phase transition mainly concerns the subtle but clearly noticeable reorganization of molecules in the crystal space, with the structure of individual molecules left almost unchanged. The Hirshfeld surface analysis shows that various intermolecular contacts play an important role in the crystal packing, revealing graphically the differences in spatial arrangements of the molecule…
Passivation-Induced Physicochemical Alterations of the Native Surface Oxide Film on 316L Austenitic Stainless Steel
2019
Time of Flight Secondary Ion Mass Spectroscopy, X-Ray Photoelectron Spectroscopy, in situ Photo-Current Spectroscopy and electrochemical analysis were combined to characterize the physicochemical alterations induced by electrochemical passivation of the surface oxide film providing corrosion resistance to 316L stainless steel. The as-prepared surface is covered by a ~2 nm thick, mixed (Cr(III)-Fe(III)) and bi-layered hydroxylated oxide. The inner layer is highly enriched in Cr(III) and the outer layer less so. Molybdenum is concentrated, mostly as Mo(VI), in the outer layer. Nickel is only present at trace level. These inner and outer layers have band gap values of 3.0 and 2.6-2.7 eV, respe…
Regional-scale modeling of reference evapotranspiration: Intercomparison of two simplified temperature- and radiation-based approaches
2015
Two regionalized models for the distributed estimation of daily reference evapotranspiration, the temperature-based Hargreaves (HE) and the radiation-based Makkink (MK) equations, are applied in Southern Italy during the years 2007 and 2008. Spatially distributed meteorological inputs, such as air temperature and incoming solar radiation, were derived from geostatistical interpolation of ground data and from the Land Surface Analysis Satellite Application Facility (LSA-SAF) surface radiation product, respectively. Comparison of the latter with 83,394 daily measurements provided by 128 weather stations shows a not negligible seasonal error in daily solar radiation that is corrected by means …
Global land surface phenology trends from GIMMS database
2009
A double logistic function has been used to describe global inventory mapping and monitoring studies (GIMMS) normalized difference vegetation index (NDVI) yearly evolution for the 1981 to 2003 period, in order to estimate land surface phenology parameter. A principal component analysis on the resulting time series indicates that the first components explain 36, 53 and 37% of the variance for the start, end and length of growing season, respectively, and shows generally good spatial homogeneity. Mann-Kendall trend tests have been carried out, and trends were estimated by linear regression. Maps of these trends show a global advance in spring dates of 0.38 days per year, a global delay in aut…
Isostructural Inorganic–Organic Piperazine-1,4-diium Chlorido- and Bromidoantimonate(III) Monohydrates: Octahedral Distortions and Hydrogen Bonds
2020
Halogenidoantimonate(III) monohydrates of the (C4H12N2)[SbX5]·
Strong influence of lowermost stratospheric ozone on lower tropospheric background ozone changes over Europe
2007
[1] Using ozone measurements from two sounding sites and two high-altitude stations in Central Europe, we show evidence for a dominant influence of changes in lowermost stratospheric ozone on the variability and overall upward trend of background ozone in the lower troposphere (3000–3500 m asl) during the 1992–2004 period. Numerical simulations with a stratospheric chemistry transport model suggest that changes in lower stratospheric ozone were driven by dynamics rather than by changes in stratospheric chlorine loading. In addition, Lagrangian model simulations indicate that changes in downward transport of ozone from the stratosphere into the troposphere were dominated by changes in lowerm…
Synthesis, X-ray structure, Hirshfeld analysis, and DFT studies of a new Pd(II) complex with an anionic s-triazine NNO donor ligand
2020
A new Pd(II) complex, [Pd(Triaz)Cl], with the hydrazono-s-triazine ligand, 2,4-di-tert-butyl-6-((2-(4-morpholino-6-(phenylamino)-1,3,5-triazin-2-yl)hydrazono)methyl)phenol, was synthesized by the reaction of PdCl2 with the organic ligand (1:1) in acetone under isothermal conditions. The molecular structure of the [Pd(Triaz)Cl] complex was determined using FTIR and 1H NMR spectroscopic techniques, and single-crystal X-ray diffraction. Moreover, using Hirshfeld surface analysis, the percentages of the intermolecular interactions were determined. The obtained values were 60.6%, 11.6%, 8.1%, 3.6%, and 5.0% for the H⋯H, C⋯H, O⋯H, N⋯H, and Cl⋯H interactions, respectively. Among them, the O⋯H, C⋯H…
Crystal structure and Hirshfeld surface analysis of 1-(4-chlorophenyl)-2-{[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}ethanone
2017
The title heterocyclic compound is contains an oxadizole and two chloro-substituted phenyl rings. In the crystal, C—H⋯N hydrogen bonding links the molecules into undulating ribbons parallel to the b axis. Hirshfeld surface analysis indicates that the most important contributions for the crystal packing are the H⋯C (18%), H⋯H (17%), H⋯Cl (16.6%), H⋯O (10.4%), H⋯N (8.9%) and H⋯S (5.9%) interactions.