Search results for "IFT"
showing 10 items of 2193 documents
Nucleophilic iodonium interactions (NIIs) in 2-coordinate iodine(i) and silver(i) complexes
2021
The generality of nucleophilic iodonium interactions (NIIs) has been demonstrated by preparing a range of silver(i) and iodonium (I+) complexes and studying their 15N NMR chemical shifts, with the first example of a NII-complex involving a 2-coordinate silver(i) complex being confirmed by X-ray crystallography, and its nucleophilicity studied by DFT calculations.
Structural studies of homoisoflavonoids: NMR spectroscopy, X-ray diffraction, and theoretical calculations
2010
Abstract In this article we present a detailed structural investigation for five homoisoflavonoids, molecules important from the pharmacological point of view. For studying the electron distribution as well as its influence on the physicochemical properties, NMR spectroscopy, X-ray diffraction, and theoretical calculations have been used. Nuclear magnetic shieldings obtained by using DFT calculations for optimized molecular geometries are correlated with the experimentally determined chemical shifts. The theoretical data are well in agreement with the experimental values. The single crystal X-ray structures of homoisoflavonoid derivatives 1, 3, and 4 have been solved. The molecular geometri…
Effect of quaternary ammonium salts on spectral properties of zinc octacarboxyphthalocyanine
2020
Abstract The paper presents results of the research on the influence of quaternary ammonium salts on UV–vis absorption and emission spectra of zinc octacarboxyphthalocyanine (ZnPcOC). Quaternary ammonium salts which show biological activity play a crucial role. In ZnPcOC solutions with a proper concentration of tetrabutylammonium salts (TBAX), a strong bathochromic shift band (λmax = 760 nm – “R” band) showing red fluorescence appears in time. The presence of tetrabutylammonium salt causes pH increase and, consequently, a gradual dissociation of carboxyl groups in ZnPcOC molecule. It seems that –COO— anions present in the ZnPcOC complex can interact with tetraalkylammonium cations, causing …
Modeling Rain Isotopic Composition under Orographic Control: A Landscape Approach for Hydrogeological Applications
2021
Oxygen isotopic composition is useful for individuating recharge areas of groundwater bodies by the comparison with those of local rainfalls. While on a global scale general relationships, such as the isotopic vertical gradient or continentality effects, efficiently describe spatial variations of the isotopic signature, hydrogeological applications need spatial models that are more focused on the effects of local topographic structures and/or subsoil geology. This work presents a case study in northeastern Sicily (Italy) characterized by complex geological and orographic structures, in which isotopic composition of rainfalls is governed by orographic effects and the varying initial composit…
Neocomian to early Aptian syn-rift evolution of the normal to oblique-rifted North Gabon Margin (Interior and N'Komi Basins).
2009
18 pages; International audience; The North Gabon coastal rift basins consist of a set of 130–150 long-segment asymmetrically tilted half grabens (Interior Basin) and 000–020 short-segment en échelon half grabens (N'Komi Basin) separated by 040–060 major transverse faults. Tectono-sedimentary analysis of field and subsurface data reveals the control exerted by extensional tectonism over continental sedimentation. During Berriasian to early Barremian times, uniform uniaxial 040–060 extension was responsible for the stretching of the brittle upper crust over a 100-km wide domain. During late Barremian–early Aptian times, the main locus of extension stepped westward resulting in severe end-rif…
Gravitational-wave Detection and Parameter Estimation for Accreting Black-hole Binaries and Their Electromagnetic Counterpart
2020
We study the impact of gas accretion on the orbital evolution of black-hole binaries initially at large separation in the band of the planned Laser Interferometer Space Antenna (LISA). We focus on two sources: (i)~stellar-origin black-hole binaries~(SOBHBs) that can migrate from the LISA band to the band of ground-based gravitational-wave observatories within weeks/months; and (ii) intermediate-mass black-hole binaries~(IMBHBs) in the LISA band only. Because of the large number of observable gravitational-wave cycles, the phase evolution of these systems needs to be modeled to great accuracy to avoid biasing the estimation of the source parameters. Accretion affects the gravitational-wave p…
A geological field trip to the Côte d'Ivoire-Ghana transform margin
1998
Abstract During the Equanaute survey (June 1992), fourteen submersible dives were performed between 4950 and 2250 m water depths across the southern slope of the Cote d'Ivoire-Ghana Marginal Ridge (CIGMR), in the eastern Equatorial Atlantic. The CIGMR, a high-standing topographic marginal ridge along the Cote d'Ivoire-Ghana transform margin, is believed to result from a complex structural evolution due to the specific wrench-related rifting between Western Equatorial Africa and Northeastern Brazil, in Early Cretaceous times. In this paper we report and discuss geological observations made during dives, and sample analyses to resolve the lithology, paleoenvironmental conditions, age and orig…
Validation of HF radar sea surface currents in the Malta-Sicily Channel
2019
Abstract A network of High-Frequency radar (HFR) stations runs operationally in the Malta-Sicily Channel (MSC), Central Mediterranean Sea, providing sea surface current maps with high temporal (1 h) and spatial (3 × 3 km) resolutions since August 2012. Comparisons with surface drifter data and near-surface Acoustic Doppler Current Profiler (ADCP) observations, as well as radar site-to-site baseline analyses, provide quantitative assessments of HFR velocities accuracy. Twenty-two drifters were deployed within the HFR domain of coverage between December 2012 and October 2013. Additionally, six ADCP vertical current profiles were collected at selected positions during a dedicated field survey.…
Persistence of orographic mixed‐phase clouds
2016
Mixed-phase clouds (MPCs) consist of ice crystals and supercooled water droplets at temperatures between 0 and approximately −38°C. They are thermodynamically unstable because the saturation vapor pressure over ice is lower than that over supercooled liquid water. Nevertheless, long-lived MPCs are ubiquitous in the Arctic. Here we show that persistent MPCs are also frequently found in orographic terrain, especially in the Swiss Alps, when the updraft velocities are high enough to exceed saturation with respect to liquid water allowing simultaneous growth of supercooled liquid droplets and ice crystals. Their existence is characterized by holographic measurements of cloud particles obtained …
Applications of a new set of methane line parameters to the modeling of Titan's spectrum in the 1.58 μm window
2012
International audience; In this paper we apply a recently released set of methane line parameters (Wang et al., 2011) to the modeling of Titan spectra in the 1.58 mu m window at both low and high spectral resolution. We first compare the methane absorption based on this new set of methane data to that calculated from the methane absorption coefficients derived in situ from DISR/Huygens (Tomasko et al., 2008a; Karkoschka and Tomasko, 2010) and from the band models of Irwin et al. (2006) and Karkoschka and Tomasko (2010). The Irwin et al. (2006) band model clearly underestimates the absorption in the window at temperature-pressure conditions representative of Titan's troposphere, while the Ka…