Benchmark values for the Soret,thermal diffusion and diffusion coefficients of three binary organic liquid mixtures

With the aim of providing reliable benchmark values, we have measured the Soret, diffusion and thermal diffusion coefficients of the three binary mixtures of dodecane, isobutylbenzene and 1,2,3,4 tetrahydronaphthalene for a concentration of 50 wt% at a temperature of 25C. The experimental techniques applied by the five participating laboratories are transient holographic gratings, annular and parallelepipedic thermogravitational columns, and vertical parallelepipedic columns with velocity amplitude determination by laser doppler velocimetry. The systems have also been studied in a annular thermogravitational column filled with a porous medium in the gap. There is a good agreement between the different experiments with deviations of the order of a few per cent in most cases (8.5% at most). The numerical values are tabulated in the paper.     

Dynamics and non-equilibrium steady state in a system of coupled harmonic oscillators

A system of two coupled oscillators, each of them coupled to an independent reservoir, is analysed. The analytical solution of the non-rotating wave master equation is obtained in the high-temperature and weak coupling limits. No thermal entanglement is found in the high-temperature limit. In the weak coupling limit the system converges to an entangled non-equilibrium steady state. A critical temperature for the appearance of quantum correlations is found.     

Spin-dependent and Coriolis interactions by an improved configuration interaction treatment: predissociation of excited fine structure levels of OH/OD

The state specific predissociation of OH/OD in its lowest electronically excited state (A²Σ⁺,v',N',F₁/F₂) is investigated by time dependent wave packet propagation techniques. To improve the accuracy of the potential energy curves, spin-orbit, spin-spin and rotational interactions required for the treatment, we have refined our CI techniques, using optimal orbitals for each of the electronic states. Potential energy curves, matrix elements and lifetimes of the rotational sublevels are compared with experiment and with theoretical values from multichannel scattering theory     

Théorie tannakienne non commutative

Inspired by a recent paper by Deligne [2], we extend the Tannaka-Krein duility results (over a field) to the non-commutative situation. To be precise, we establish a 1-1 corresponde:ice between ‘tensorial autonomous categories’ equipped with a ‘fibre functor’ (i. e. tannakian categories without the commutativity condition on the tensor product), and ‘quantum groupoids’ (as defined by Maltsiniotis, [9]) which are ‘transitive’ (7.1.). When the base field is perfect, a quantum groupoid over Spec B is transitive iff it is projective and faithfully fiat over B? _k B. Moreover, the fibre functor is unique up to ‘quantum isomorphism’ (7.6.). Actually, we show Tannaka-Krein duality results in the more general setting where there is no monoidal structure on the category (and the functor); the algebraic object corresponding to such a category is a ‘semi-transitive’ coalgebroid (5.2. and 5.8.).     

Fluorescent Microcrystals Obtained from Coumarin 6 Using the Reprecipitation Method

The reprecipitation method was applied to Coumarin 6. A concentrated solution of the dye in acetone was mixed at room temperature with a large volume of water, and microcrystals rapidly appeared in the medium. Their size and shape were visualized by fluorescence microscopy, as well as by transmission electron microscopy. The absorption and fluorescence properties were studied on the suspensions and compared with those of the dissolved dye. This study is aimed at clarifying the influence of the reprecipitation process upon the fluorescence properties of the dye in the solid state.     

Carbonylation of C−N Bonds in Tertiary Amines Catalyzed by Low‐Valent Iron Catalysts

The first iron catalysts able to promote the formal insertion of CO into the C?N bond of amines are reported. Using low‐valent iron complexes, including K₂[Fe(CO)₄], amides are formed from aromatic and aliphatic amines, in the presence of an iodoalkane promoter. Inorganic Lewis acids, such as AlCl₃ and Nd(OTf)₃, have a positive influence on the catalytic activity of the iron salts, enabling the carbonylation at a low pressure of CO (6 to 8 bars).     

Correction to: EQRAIN: uranium and plutonium interlaboratory exercises from 1997 to 2016—comparison to ITVs-2010

Journal of Radioanalytical and Nuclear Chemistry - In the original publication of the article, the values of u(s), u(r) and ITV for HKED were published incorrectly in Table 6.     

Selective Carbanion–Pyridine Coordination of a Reactive P,N Ligand to RhI

Ligands with reactive carbon sites in the periphery of a metal center have emerged as a powerful approach for metal–ligand bond activation. These reactive carbon sites are commonly generated by deprotonation strategies. Carbon–silicon bond cleavage is a potential alternative to access such constructs. Herein, the monodesilylation of bis-silyl-substituted P,N scaffold PN^Si2 in the coordination sphere of [Rh^I(Cl)(CO)( PN^Si2 )] ( 1 ) with sodium azide is disclosed. This affords a unique dinucleating anionic κ²-C,N-κ¹-P ligand with a carbanionic methine carbon atom directly bound to rhodium as part of a four-membered Rh-N-C-C rhodacycle. This dimer undergoes meta-pyridine C−H activation facilitated by weak bases, which leads to a desymmetrization of the system and provides a σ,π-bridging 3-pyridyl fragment bound to Rh^I. The facile Si−C cleavage strategy may pave the way to studying the reactivity and functionalization of a variety of κ²-C,N-coordinated pyridine scaffolds for selective transformations.