Search results for "SID"

Effect of surface finishing on the oxidation behaviour of a ferritic stainless steel

2017

Abstract The corrosion behaviour and the oxidation mechanism of a ferritic stainless steel, K41X (AISI 441), were evaluated at 800 °C in water vapour hydrogen enriched atmosphere. Mirror polished samples were compared to as-rolled K41X material. Two different oxidation behaviours were observed depending on the surface finishing: a protective double (Cr,Mn) 3 O 4 /Cr 2 O 3 scale formed on the polished samples whereas external Fe 3 O 4 and (Cr,Fe) 2 O 3 oxides grew on the raw steel. Moreover, isotopic marker experiments combined with SIMS analyses revealed different growth mechanisms. The influence of surface finishing on the corrosion products and growth mechanisms was apprehended by means o…

Quartz resonators for penning traps toward mass spectrometry on the heaviest ions

2020

We report on cyclotron frequency measurements on trapped 206,207Pb+ ions by means of the non-destructive Fourier-transform ion-cyclotron-resonance technique at room temperature. In a proof-of-principle experiment using a quartz crystal instead of a coil as a resonator, we have alternately carried out cyclotron frequency measurements for 206Pb+ and 207Pb+ with the sideband coupling method to obtain 21 cyclotron-frequency ratios with a statistical uncertainty of 6 × 10−7. The mean frequency ratio R¯ deviates by about 2σ from the value deduced from the masses reported in the latest Atomic Mass Evaluation. We anticipate that this shift is due to the ion–ion interaction between the simultaneousl…

A new Collinear Apparatus for Laser Spectroscopy and Applied Science (COALA).

2020

We present a new collinear laser spectroscopy setup that has been designed to overcome systematic uncertainty limits arising from high-voltage and frequency measurements, beam superposition, and collisions with residual gas that are present in other installations utilizing this technique. The applied methods and experimental realizations are described, including an active stabilization of the ion-source potential, new types of ion sources that have not been used for collinear laser spectroscopy so far, dedicated installations for pump-and-probe measurements, and a versatile laser system referenced to a frequency comb. The advanced setup enables us to routinely determine transition frequenci…

Origin of Enzymatic Kinetic Isotope Effects in Human Purine Nucleoside Phosphorylase

2017

Here we report a study of the effect of heavy isotope labeling on the reaction catalyzed by human purine nucleoside phosphorylase (hPNP) to elucidate the origin of its catalytic effect and of the enzymatic kinetic isotope effect (EKIE). Using quantum mechanical and molecular mechanical (QM/MM) molecular dynamics (MD) simulations, we study the mechanism of the hPNP enzyme and the dynamic effects by means of the calculation of the recrossing transmission coefficient. A free energy surface (FES), as a function of both a chemical and an environmental coordinate, is obtained to show the role of the environment on the chemical reaction. Analysis of reactive and nonreactive trajectories allows us …

Palladium-catalyzed amination of aryl dibromides with secondary amines: synthetic and mechanistic aspects

1999

Abstract Diaminobenzenes are obtained starting from m- and p-dibromobenzenes and secondary amines in the presence of Pd(dba)2/P(o-tolyl)3and sodium tert-butoxide in moderate to good yields. Reductive dehalogenation of aryl dibromides is a major side reaction under these conditions. The study of this reaction has shown that the formation of reductive dehalogenation products occurs according to two independent ways. The first one proceeds via the well-known β-hydride elimination from amido-coordinated palladium complexes. The second one involves the formation of hydrido palladium complexes from amino-coordinated derivatives. Although our results do not allow us to propose a detailed mechanist…

Encapsulation and solid state sequestration of gases by calix[6]arene-based molecular containers

2017

Two calix[6]arene-based molecular containers were synthesized in high yields. These containers can encapsulate small guests through a unique "rotating door" complexation process. The sequestration of greenhouse gases is clearly demonstrated. They can be stored in the solid state for long periods and released via dissolution of the inclusion complex.

4,5-Disubstituted N -Methylimidazoles as Versatile Building Blocks for Defined Side-Chain Introduction

2017

Halogen bonds in 2,5-dihalopyridine-copper(II) chloride complexes

2018

Ten coordination complexes obtained through a facile reaction between 2,5-dihalopyridines and copper(II) chloride (CuCl2) are characterized using single crystal X-ray diffraction. Two series of dihalopyridine complexes based on 2-chloro-5-X-pyridine and 2-bromo-5-X-pyridine (X = F, Cl, Br and I) were prepared to analyze the C–X2/X5⋯Cl–Cu halogen bonds (XB). The influence of X2- and X5-substituents on the respective interactions was examined by comparing them to the X2/X3⋯Cl–Cu XBs found in mono-substituted halopyridine complexes, (n-X-pyridine)2·CuCl2 (n = 2, 3 and X = Cl, Br and I). Varying the X5-halogens in (2,5-dihalopyridine)2·CuCl2, the C5–X5⋯Cl–Cu XBs follow the order F5 1 and they c…

Reversible O–H bond activation by an intramolecular frustrated Lewis pair

2019

The interactions of the O-H bonds in alcohols, water and phenol with dimethylxanthene-derived frustrated Lewis pairs (FLPs) have been probed. Within the constraints of this backbone framework, the preference for adduct formation or O-H bond cleavage to give the corresponding zwitterion is largely determined by pKa considerations. In the case of the PPh2/B(C6F5)2 system and p-tBuC6H4OH, an equilibrium is established between the two isomeric forms which allows the thermodynamic parameters associated with zwitterion formation via O-H bond cleavage to be probed.

6-Polyamino-substituted quinolines: synthesis and multiple metal (CuII, HgIIand ZnII) monitoring in aqueous media

2019

Chemoselective palladium-catalyzed arylation of polyamines with 6-bromoquinoline has been explored to prepare chelators for the detection of metal cations in aqueous media. The introduction of a single aromatic moiety into non-protected polyamine molecules was achieved using the commercially available Pd(dba)2/BINAP precatalyst to afford nitrogen chelators, in which the aromatic signalling unit is directly attached to the polyamine residue. Water-soluble receptors were then synthesized using N-alkylation of these polyamines by hydrophilic coordinating residues. By combining rich photophysical properties of the 6-aminoquinoline unit with a high coordination affinity of chelating polyamines a…