Search results for "Shielding effect"
showing 6 items of 6 documents
Stable radical anions generated from a porous perylenediimide metal-organic framework for boosting near-infrared photothermal conversion
2019
Radical anions of electron-deficient systems are widely used, but are easily reoxidized upon exposure to air. Therefore, the stabilization of radical anions under ambient conditions is of great significance, but still remains a scientific challenge. Herein, perylenediimide is employed to prepare a crystalline metal-organic framework for stabilizing radical anions without extensive chemical modification. The porous, three-dimensional framework of perylenediimide can trap electron donors such as amine vapors and produce radical anions in-situ through photo-induced electron transfer. The radical anions are protected against quenching by shielding effect in air and remain unobstructed in air fo…
Fatigue crack growth through particulate clusters in polycarbonate material
2011
The interaction of a crack with a perfectly bonded inclusion or a cluster of inclusions in polycarbonate matrix was investigated through both numerical simulations and fatigue tests. Stress intensity factors (K(I)) were evaluated by boundary element method for several particle sizes, position and finally for inclusion cluster as a precursor study for the experiments. The numerical simulation has shown the crack tendency to circumvent the inclusions with consequential reduction of the growth rate. Fatigue crack growth tests were carried out on several particle-filled specimens at constant value of the applied stress intensity factor range (Delta K(Iapp)) highlighting the crack delay due to t…
Nuclear magnetic shielding constants in the CC2 model
1997
Abstract Test calculations of nuclear magnetic shielding constants in the CC2 model are performed using the gauge-including atomic orbital approach. Absolute shielding constants are reported for reprsentative first-row hydrides, a few multiply bonded molecules and some challenging cases. The performance of CC2 is analyzed by comparison with experimental data and results from calculations employing more sophisticated treatments of electron correlation. In most cases, CC2 shieldings and chemical shifts are close to those obtained at second-order perturbation theory, despite the fact that the CC2 model includes an approximate treatment of orbital relaxation effects at the correlated level.
Multinuclear 1H, 13C and 15N NMR study of some substituted 2-amino-4-nitropyridines and their N-oxides.
2002
1H, 13C and 15N NMR chemical shift assignments based on pulsed field gradient selected PFG 1H,X (X = 15C and 15N) HMQC and HMBC experiments are reported for three 4-nitropyridine N-oxides and four 4-nitropyridines. It was found that an ortho effect of a methyl group inhibits the deshielding effect of the 4-nitro group and that this effect and the so-called back donation is influenced by electronegativity and position of substituents in the multisubstituted pyridine N-oxides. The shielding effect of N-oxide group is most pronounced in the 15N NMR chemical shifts of the studied compounds. This effect is further modified by methylamino, methylnitramino, 5- or 3-methyl and 4-nitro groups. Among…
The Shielding Effect of Drilling Fluids on Measurement While Drilling Tool Downhole Compasses—The Effect of Drilling Fluid Composition, Contaminants,…
2016
Materials such as added clays, weight materials, drill solids, and metallic wear products in the drilling fluid are known to distort the geomagnetic field at the location of the measurement while drilling (MWD) tool magnetometers that are used to measure the direction of well path. This distortion contributes to substantial errors in determination of azimuth while drilling deviated wells. These errors may result in missing the target of a long deviated 12 ¼ in. section in the range of 1–200 m, representing a significant cost to be mitigated. The error becomes even more pronounced if drilling occurs in arctic regions close to the magnetic north pole (or south pole). The effect on the magneto…
Kinetically Controlled Stepwise Self-Assembly of AuI-Metallopeptides in Water
2018
The combination of attractive supramolecular interactions of a hydrophobic AuI-metallopeptide with the shielding effect of flexible oligoethylene glycol chains provides access to a stepwise self-assembly of a AuI-metalloamphiphile in water. Kinetic control of the supramolecular polymer morphology is achieved using a temperature-dependent assembly protocol, which yields low dispersity supramolecular polymers (metastable state I) or helical bundled nanorods (state II).