Experimental test of universality of the Anderson transition

We experimentally test the universality of the Anderson three dimensional metal-insulator transition, using a quasiperiodic atomic kicked rotor. Nine sets of parameters controlling the microscopic details have been tested. Our observation indicates that the transition is of second order, with a critical exponent independent of the microscopic details; the average value 1.63±0.05 agrees very well with the numerically predicted value ν=1.58.     

Signed words and permutations, V; a sextuple distribution

We calculate the distribution of the sextuple statistic over the hyperoctahedral group B _n that involves the flag-excedance and flag-descent numbers “fexc” and “fdes,” the flag-major index “fmaj,” the positive and negative fixed point numbers “ ” and “ ” and the negative letter number “neg.” Several specializations are considered. In particular, the joint distribution for the pair is explicitly derived.      

Chemical functionalization of electrodes for detection of gaseous nerve agents with carbon nanotube field-effect transistors

An innovative sensor for the detection of nerve agents in the gas phase based on a carbon nanotube field-effect transistor was developed. A high sensitivity to organophosphorus gases was obtained by modifying gold electrodes with specific tailor-made self-assembled monolayers.     

High efficiency of cavity-based triaryl-phosphines in nickel-catalysed Kumada-Tamao-Corriu cross-coupling

Combining diaryl-calixarenyl phosphines with [Ni(cod)(2)] resulted in highly active Kumada-Tamao-Corriu cross-coupling catalysts. With one of the ligands, TOFs up to 439,000 mol(ArBr) mol(Ni)(-1) h(-1) were observed in the reaction of 1-bromonaphthalene with PhMgBr. The systems were also found to be active at room temperature with aryl chlorides.     

Iron(III) chloride-tandem catalysis for a one-pot regioselective protection of glycopyranosides

Tandem catalysis by using iron(III) chloride hexahydrate leads to carbohydrate building blocks displaying an orthogonal protecting group pattern as illustrated by the regioselective protection of trehalose and maltose disaccharides.     

Turbulence Modelling of Unsteady Turbulent Flows Using the Stress Strain Lag Model

This paper reports the application of a recently developed turbulence modelling scheme known as the C _as model. This model was specifically developed to capture the effects of stress-strain misalignment observed in turbulent flows with mean unsteadiness. Earlier work has reported the approach applied within a linear k-ε modelling framework, and some initial testing of it within the k-ω SST model of Menter (AIAA J 32:1598–1605, 1994). The resulting k-ε-C _as and SST-C _as models have been shown to result in some of the advantages of a full Reynolds Stress transport Model (RSM), whilst retaining the computational efficiency and stability benefits of a eddy viscosity model (EVM). Here, the development of the the high-Reynolds-number version of the C _as model is outlined, with some example applications to steady and unsteady homogeneous shear flows. The SST-C _as form of the model is then applied to further, more challenging cases of 2-D flow around a NACA0012 aerofoil beyond stall and the 3-D flow around a circular cylinder in a square duct, both being flows which exhibit large, unsteady, separated flow regions. The predictions returned by a range of other common turbulence modelling schemes are included for comparison and the SST-C _as scheme is shown to return generally good results, comparable in some respects to those obtainable from far more complex schemes, for only moderate computing resource requirements.     

Numerical Simulation of Coherent Structures over Plant Canopy

This paper reports large eddy simulations of the interaction between an atmospheric boundary layer and a canopy (representing a forest cover). The problem is studied for a homogeneous configuration representing the situation encountered above a continuous forest cover, as well as for a heterogeneous configuration representing the situation similar to an edge or a clearing in a forest. The numerical results reproduces correctly all the main characteristics of this flow as reported in the literature: the formation of a first generation of coherent structures aligned transversally with the wind flow direction, the reorganization and the deformation of these vortex tubes into horse-shoe structures. The results obtained when introducing a discontinuity in the canopy (reproducing a clearing or a fuel break in a forest), are compared with the experimental data collected in a wind tunnel; here, the results confirm the existence of a strong turbulence activity inside the canopy at a distance equal to 8 times the height of the canopy, referenced in the literature as the Enhance Gust Zone (EGZ) characterized by a local peak of the skewness factor.     

The game chromatic index of wheels

We prove that the game chromatic index of n-wheels is n for n≥6.     

The relevance of the fluorine interactions in the supramolecular structure of a complex constructed from copper(II) hexafluoroacetylacetonate and the 4′-(3-pyridyl)-2,2′:6′,2″-terpyridine ligand. Novel C-F/π synthons involving the π-system of the terpyridine moieties and those of the hexafluoroacetylacetonate chelate rings

Reaction of 4′-(3-pyridyl)-2,2′:6′,2′′-terpyridine (pyterpy) with Cu(hfacac)₂ (hfacac = hexafluoroacetylacetonate) led to the formation of the novel compound [Cu₃(hfacac)₄(μ-pyterpy)₂][Cu(hfacac)₃]₂ (1). The structure is composed of a trinuclear [Cu₃(hfacac)₄(μ-pyterpy)₂]²⁺ cation and two [Cu(hfacac)₃]⁻ anionic species. The cation consists of a chain of three Cu^II atoms connected by bridging pyterpy ligands. The [Cu(hfacac)₃]⁻ anions have the hfacac ligands coordinated in their usual chelating manner through their carbonyl O donors. Besides the coulombian forces, the ionic species are fixed by C-H?O, C-H?F, F?F and a variety of unusual inter-ion C-F?π interactions that control the packing motif. These π-interactions involve the terpyridine groups from the pyterpy ligand and the five-membered rings of the chelating hexafluoroacetylacetonate anions.     

Reactivity of Pd3(dppm)3(CO)n+ and Pd3(dppm)3(CO)(RCCR)n+ (n?=?0, +1, +2) Towards F?. Evidence of Reactive Intermediates and X-Ray Structure of [Pd3(dppm)3(MeO2CC≡CCO2Me)(F)]PF6

Abstract  

The reactivity of the trinuclear palladium cluster [Pd₃(dppm)₃(CO)] ⁿ⁺ (dppm = bis(diphenylphosphinomethane); n = 2, 1) towards F⁻ was investigated by electrochemical and spectroscopic methods. The reaction depends on the charge of the cluster. The chemical reduction of the cluster dication is observed in the presence of F⁻ generating the paramagnetic monocationic cluster. Spin-trapping experiments with 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) provided evidence for the radical F^• as an intermediate. In a similar manner to the dication, the monocationic cluster [Pd₃(dppm)₃(CO)]⁺ is also reduced, but in a slower process, by the F⁻ ion to produce [Pd₃(dppm)₃(CO)]⁰. Additionally, the alkyne cluster adducts [Pd₃(dppm)₃(CO)(RCCR)] ⁿ⁺ (n = 2, 1; R = CO₂Me) are also reactive towards F⁻. Particularly, the dication adduct leads to a metastable fluoride adduct [Pd₃(dppm)₃(CO)(RCCR)(F)]⁺. The electroreductive behavior of this adduct involves electron-transfer steps and F⁻ exchange equilibriums, for which digital simulation enables the extraction of the thermodynamic parameters (standard potentials and equilibrium constants). Concurrently, the monocation adduct [Pd₃(dppm)₃(CO)(RCCR)]⁺ with F⁻, leads to a disproponation generating 0.5 equiv. of [Pd₃(dppm)₃(CO)(RCCR)(F)]⁺ and 0.5 equiv. of [Pd₃(dppm)₃(CO)(RCCR)]⁰. The former slowly evolves to [Pd₃(dppm)₃(RCCR)(F)]⁺, which was described by X-ray diffraction method.