Search results for "POLE"
showing 10 items of 1981 documents
Diffractive vector meson production in ultraperipheral heavy ion collisions from the Color Glass Condensate
2014
We compute cross sections for incoherent and coherent diffractive J/$\Psi$ and $\Psi(2S)$ production in ultraperipheral heavy ion collisions. The dipole models used in these calculations are obtained by fitting the HERA deep inelastic scattering data and compared with available electron-proton diffraction measurements. We obtain a reasonably good description of the available ALICE data. We find that the normalization of the ultraperipheral cross section has large model dependence, but the rapidity dependence is more tightly constrained.
Selective guest inclusion of linear C6 hydrocarbons in a Zn(ii) 1D coordination polymer
2021
Trapping of volatile unbranched C6 hydrocarbons (hexane, 1-hexene, and 1-hexyne) in a 1D coordination polymer is reported. The guest inclusion was studied quantitatively by 1H-NMR analysis and thermogravimetric measurements, while synchrotron single-crystal diffraction data allowed advancing the view of their confinement into linear CP channels. Adsorption experiments performed through solid/vapour processes on microcrystals of CP 1 showed a certain degree of selectivity for 1-hexyne, which could be rationalized by its larger dipole moment.
Liquid structure of dibutyl sulfoxide
2016
We present experimental (X-ray diffraction) data on the structure of liquid dibutyl sulfoxide at 320 K and rationalise the data by means of molecular dynamics simulations. Not unexpectedly, DBSO bearing a strong dipolar moiety and two medium length, apolar butyl chains, this compound was characterised by a distinct degree of polar vs. apolar structural differentiation at the nm spatial scale, which was fingerprinted by a low Q peak in its X-ray diffraction pattern. Similar to, but to a larger extent than its shorter chain family members (such as DMSO), DBSO was also characterised by an enhanced dipole-dipole correlation, which was responsible for a moderate Kirkwood correlation factor as we…
Theoretical studies on the spectroscopy of the 7-azaindole monomer and dimer
2001
The absorption and the emission spectra, both fluorescence and phosphorescence, of the 7-azaindole molecule have been studied by means of the complete active space (CAS) SCF method and multiconfigurational second-order perturbation theory (CASPT2). Excitation energies, oscillator strengths, dipole moments, transition dipole moments, and their directions have been computed and the results compared to those of analogous molecules such as indene, indole, and benzimidazole, to get a homogeneous picture of the photophysics of the systems. The absorption and emission of the 7-azaindole dimer and its related tautomer have also been computed in order to get further insight into the double fluoresce…
Posługa Kościoła wobec młodzieży na przykładzie diecezji opolskiej
2019
Synod Biskupów dotyczący duszpasterstwa młodzieży, który odbył się w 2018 roku, zauważa, iż posługa pastoralna prowadzona wśród ludzi młodych powinna odbywać się przede wszystkim na poziomie parafii w ramach duszpasterstwa zwyczajnego. Jednak działalność zbawcza Kościoła wśród młodzieży wymaga także obecności elementów duszpasterstwa nadzwyczajnego, co ma dokonywać się poprzez odpowiednie przygotowanie samego duszpasterza i pomagających mu animatorów. Takie działanie może przyczynić się do efektywności prowadzonych działań pastoralnych. Niewątpliwie konieczne wydają się również: wizja, strategia prowadzenia duszpasterstwa na szczeblu diecezji, dekanatu i parafii, a także znajomość kondycji …
Experimental and theoretical characterization of chelidonic acid structure
2022
Abstract Chelidonic acid (4-oxo-4H-pyran-2,6-dicarboxylic acid) is present in plants of Papaveraceae family, especially in Chelidonium majus. Due to its anticancer, antibacterial, hepatoprotective, and antioxidant properties, it has been used in medical treatments. In this work, the X-ray structure of methanol solvate of chelidonic acid was determined. Layers of chelidonic acid are held by hydrogen bonds via COOH and C = O fragments and additionally bridged by methanol. The formed H-bond network between two acid units is different from typical –COOH dimers observed, e.g., in crystals of isophtalic acid. The molecular structure of 2,6-dimethyl-γ-pyrone (2Me4PN) and chelidonic acid, a 2,6-dic…
Study of Reactivity in the 1,3-Dipolar Cycloaddition Reactions Leading to New Triazolopyrrolopyrazine Ring Systems
2010
The influence of the structural symmetry of the 2-pi double-reactive-sites component in the 1,3-dipolar cycloaddition reactions, involving nitrilimines as dipoles, was investigated. the experimental data showed that the loss of the symmetry leads to the formation of the monocycloadduct in good yields.
The β-relaxation amplitudes for a dipolar hard sphere glass
1998
Abstract The β-relaxation amplitudes h m l , l ′ ( q ) for a dipolar hard sphere model are calculated in the diagonalization approximation up to l =1. The relevance to experimental difficulties to detect the characteristic β-relaxation minimum in dielectric loss measurements is discussed. Additionally, the microscopic nature of the β-relaxation of the rotational components is investigated by discussing the amplitudes in real space at different temperatures and densities.
<title>Coumarin fluorescent probes by electro-optical and laser spectrofluorimetry methods</title>
1997
Modified electro-optical absorption and emission methods were used to measure the dipole moments of six coumarin fluorescent probes (CU1, CU4, CU7, CU30, CU120, CU334) in the equilibrated ground, excited Franck-Condon and equilibrated excited states. The measurements were performed in cyclohexane and dioxane at room temperature. The equilibrated ground and excited states dipole measured by electro-optical methods are compared with those derived from other measurements techniques and from semiempirical calculations. Experiments and calculations performed in this work reveal a set of anomalous and interesting properties of CU7 and CU30 in solutions. The spectral dependence of some electro-opt…
Elongated push–pull diphenylpolyenes for nonlinear optics: molecular engineering of quadratic and cubic optical nonlinearities via tuning of intramol…
1999
Abstract Push–pull polyenes are of particular interest for nonlinear optics (NLO) as well as model compounds for long-distance intramolecular charge transfer (ICT). In order to tune the ICT phenomenon and control the linear and nonlinear optical properties, we have synthesized and investigated several series of soluble push–pull diphenylpolyenes of increasing length and having various donor (D) and acceptor (A) end groups. Their linear and NLO properties have been studied by performing electro-optical absorption measurements (EOAM) and third-harmonic generation (THG) experiments in solution. Each push–pull molecule exhibits an intense ICT absorption band in the visible characterized by an i…