Coordinatively Unsaturated Amidotitanocene Cations with Inverted σ and π Bond Strengths: Controlled Release of Aminyl Radicals and Hydrogenation/Dehydrogenation Catalysis

Cationic amidotitanocene complexes [Cp₂Ti(NPhAr)][B(C₆F₅)₄] (Cp=η⁵-C₅H₅; Ar=phenyl ( 1 a ), p-tolyl ( 1 b ), p-anisyl ( 1 c )) were isolated. The bonding situation was studied by DFT (Density Functional Theory) using EDA-NOCV (Energy Decomposition Analysis with Natural Orbitals for Chemical Valence). The polar Ti−N bond in 1 a–c features an unusual inversion of σ and π bond strengths responsible for the balance between stability and reactivity in these coordinatively unsaturated species. In solution, 1 a–c undergo photolytic Ti−N cleavage to release Ti(III) species and aminyl radicals ⋅ NPhAr. Reaction of 1 b with H₃BNHMe₂ results in fast homolytic Ti−N cleavage to give [Cp₂Ti(H₃BNHMe₂)][B(C₆F₅)₄] ( 3 ). 1 a–c are highly active precatalysts in olefin hydrogenation and silanes/amines cross-dehydrogenative coupling, whilst 3 efficiently catalyzes amine-borane dehydrogenation. The mechanism of olefin hydrogenation was studied by DFT and the cooperative H₂ activation key step was disclosed using the Activation Strain Model (ASM).     

Characterization of an Algerian diatomite by inverse gas chromatography: Specific and non-specific contribution and Lewis acid–base parameters

The fundamental understanding of the behavior of a solid is intimately related to the understanding of the interactions on the surface of the latter, a major challenge in particular if the material is natural and ecological. The infinite dilution-inverse gas chromatography was used to evaluate the surface thermodynamic properties of several phases (grafted and/or coated) diatomite. A series of non- or polar-solute probes were injected at temperatures of 45?°C and 90?°C. The dispersive surface free energies values of the supports decrease with increasing temperature and their active surface is amphoteric with predominantly acidic character.     

On the energy-dependent number of electronic states in a quantum-well laser diode under a perpendicular magnetic field

The number of electronic states in a quantum-well laser diode under a perpendicular, uniform and time-independent magnetic field is considered as a function of the electronic energy. Within this framework, the energy-averaged number of states is calculated over a suitable energy range. In particular, an expression for the above average number is given when the magnetic field is relatively weak and the devices are assumed to be quasi-one-dimensional.     

变形谐振子势的能谱方程

讨论了3种变形谐振子势:左右两边不同参数的谐振子势、左边方形势加右边谐振子势和谐振子势中间加δ势中的能量本征态函数.这些函数都可以由厄米函数表示.由波函数及其一次导数在原点的衔接条件,得到了能谱方程.     

0Interacting model of new agegraphic dark energy:observational constraints and age problem

Many dark energy models fail to pass the cosmic age test because of the old quasar APM 08279+5255 at redshift z=3.91,the ΛCDMmodel and holographic dark energy models being no exception.Inthis paper,we focus onthe topic of the age problem inthe new agegraphic dark energy(NADE)model.We determine the age of the universe in the NADE model by fitting the observational data,including type Ia supernovae(SNIa),baryon acoustic oscillations(BAO)and the cosmic microwave background(CMB).We find that the NADE model also...     

Cosmological evolution of quintessence and phantom with a new type of interaction in dark sector

In the present work, motivated by the work of Cai and Su [Phys. Rev. D 81 (2010) 103514], we propose a new type of interaction in dark sector, which can change its sign when our universe changes from deceleration to acceleration. We consider the cosmological evolution of quintessence and phantom with this type of interaction, and find that there are some scaling attractors which can help to alleviate the cosmological coincidence problem. Our results also show that this new type of interaction can bring new features to cosmology.     

A new method for resolving combinatorial ambiguities at hadron colliders

We present a new method for resolving combinatorial ambiguities that arise in multi-particle decay chains at hadron colliders where the assignment of visible particles to the different decay chains has ambiguities. Our method, based on selection cuts favoring high transverse momentum and low invariant mass pairings, is shown to be significantly superior to the more traditional hemisphere method for a large class of decay chains, producing an increase in signal retention of up to a factor of 2. This new method can thus greatly reduce the combinatorial ambiguities of decay chain assignments.     

Binding energy of an off-center donor impurity in ellipsoidal quantum dot with parabolic confinement potential

The binding energy of an off-center hydrogenic donor impurity in weakly oblate Ellipsoidal Quantum Dot (EQD), using the expansion method within the framework of effective mass approximation in strong confinement, is investigated. In this regard, the binding energies of different states of GaAs structures, as functions of the donor position and ellipticity parameter, are calculated. The results show that variations of binding energies are proportional to the ellipticity constant, the dot dimension and the location of impurity.