Search results for "pole"

On the phase transition in CsCN

1983

X-ray diffraction and dielectric measurements have been performed on the molecular crystal CsCN as a function of temperature. The order parameter of the cubic to rhombohedral phase transition (Tc=186 K) was determined and interpreted by a coupling of the (CN)− orientations to the shear strain. At lower temperatures the dielectric response is dominated by thermally activated relaxations processes rather than by electrical ordering of the CN dipoles.

Shallow-donor impurities in indium selenide investigated by means of far-infrared spectroscopy.

1992

Shallow impurities in n-type indium selenide (InSe) have been investigated by means of Fourier-transform spectroscopy in the far-infrared region. Three electric dipole transitions have been identified: 1s-2${\mathit{p}}_{\ifmmode\pm\else\textpm\fi{}}$, 1s-2${\mathit{p}}_{0}$, and 1s-3${\mathit{p}}_{\ifmmode\pm\else\textpm\fi{}}$, corresponding to electrons bound to native donors and tin-, silicon-, and chlorine-related donors, whose ionization energies (17.6, 18.1, 18.8, and 19 meV, respectively) have been determined through the Guerlach-Pollmann model. That model was also used to calculate the oscillator strengths of those dipole transitions, and then to estimate the shallow-donor concentr…

Modification of Polymers in Supercritical Carbon Dioxide

2003

The interaction of scFluids and polymers are governed by the intermolecular forces between solvent-solvent, solvent-polymer segment, and polymer segment-segment pairs. Because of its symmetry, within reasonable pressure values, CO2 does not have a dipole moment, but it does have a quadrupole moment significant over a much shorter distance than dipolar interactions. The quadrupole moment and the Lewis acidity of CO2 imparts to the carbon dioxide the peculiarity to be a solvent for selected classes of polymers like perfluorinated polyacrylates, polysiloxanes and polyether-polycarbonate diblock copolymers [1–3].

Dipolar Relaxation in Functionalized Poly-p-phenylenes Bearing Ultrastrong Dipoles Perpendicular to the Backbone

2018

Local polymer dynamics are studied in polymers bearing dipoles rigidly attached to the backbone. The compounds are based on cyano-substituted dihydrobenzimidazoles bearing ultrastrong dipole moments (∼12 D per repeat unit) incorporated in a poly-p-phenylene backbone, giving rise to polymers with rigid dipoles perpendicular to the chain. They belong to type B polymers according to the Stockmayer classification. They are ideal model systems for studying rotational isomers in the gas phase and the self-assembly and local dynamics in the solid state. Gas phase calculations (DFT) provided the dipole moments, the energetic barriers, and the backbone conformation as a function of the dipole streng…

Insight in NLO Polymer Material Behavior from Langevin Dynamic Modeling of Chromophore Poling

2011

Calculation of chromophore polar order, i.e. the polarization of nonlinear optically (NLO) active polymers poled by external field, is challenging. One possible solution is to reproduce the orientation polarization of chromophores under external field using Langevin dynamics (LD) molecular modeling. The present work investigates the influence of chromophore dipole moment, density and field extent on NLO efficiency and polarization/relaxation dynamics. Results of simulations convince us, that the method is applicable for modeling real NLO polymers. In the spotlight of this investigation we would like to describe a NLO polymer as a “ferrofluid” where chromophores are active particles or elect…

NMR Matrix Technique for Detecting Self Diffusion in Polymers

1979

A technique is discussed where monodisperse small spheres or cylindrical fibers of a polymer are embedded in a matrix of the corresponding fully deuterated polymer. On annealing the sample at a temperature above the glass transition the protonated macromolecules diffuse into the deuterated matrix and vice versa. Since the NMR spectrum depends upon the intermolecular proton proton dipolar coupling, the decrease of this coupling can be used to monitor the diffusion process. For particle diameters d ∼ 10−4 cm and annealing times t ∼ 105 s, extremely small diffusion constants D < d2/t are attainable. The NMR analysis of prospective diffusion experiments with polystyrene is discussed in some det…

Glycoside derivatives of scopoletin and β-sitosterol from Hymenodictyon floribundum

2003

Tin(IV), Monomethyltin(IV), and Dimethyltin(IV) Complexes with thiol sulfur and heterocyclic nitrogen donors: Molecular dynamics and structure by119S…

1995

The molecular dynamics of the complexes Sn(SPyN)4 (1), SnCl2(SPyN)2 (2), MeSn(SPy)3 (3), MeSnCl(SPyN)2 (4), Me2Sn(TCy)2 (5), Me2SnCl(TOx) (6), and Me2Sn(TUr) (7) [HSPy = 2-mercaptopyridine; HSPyN = 2-mercaptopyrimidine; HTCy = 2-thiocytosine; HTOx = 8-thioquinoline; H2TUr = 2-thiouracil] has been investigated by variable temperature 119Sn Mossbauer spectroscopy. The area under the resonant peaks has been determined as function of temperature, from which Debye temperatures and cut-off frequencies, as well as recoil-free fractions (Lamb Mossbauer factor) and mean square displacements of 119Sn, have been calculated. By fingerprint procedures on the basis of literature data, monomeric structure…

Polyunsaturated fatty acids and Plasmalogens in diabetics

2012

Purpose Plasmalogens (PLS) are phospholipids characterized by a vinyl ether bond and a preferential esterification of polyunsaturated fatty acids (PUFA). We have previously shown that the lack of PLS leads to retinal hyper-capillarization. We hypothesize that PLS are negative regulators of vascular development, and aimed to check their circulating levels in diabetic patients. Methods Blood samples were collected from 88 patients and 14 control subjects. Among diabetics we had 14 patients without diabetic retinopathy (DR), 12 with a mild non proliferative DR, 12 with a moderate non proliferative DR, 22 with a severe non proliferative DR and 24 with a proliferative DR (PDR). Erythrocytes were…

Validation of Methylmercury Determinations in Aquatic Systems by Alkyl Derivatization Methods for GC Analysis Using ICP-IDMS

2001

Isotope dilution mass spectrometry (IDMS), using an inductively coupled plasma quadrupole mass spectrometer (ICPMS) and a species-specific methylmercury spike was applied to validate the commonly used GC method for methylmercury (MeHg+) determination, which is based on the formation of volatile methylethylmercury by derivatization with NaBEt4. The spike compound, Me201Hg+, was synthesized by reaction of 201Hg-enriched mercury chloride with methylcobalamin. By analyzing different environmental aquatic samples, it was found that in most cases, transformation of MeHg+ into elemental mercury (Hg0) took place. From investigations of synthetic solutions, it could be followed that halide ions are …