Structures, electronic properties and solid state luminescence of Cu(I) iodide complexes with 2,9-dimethyl-1,10-phenanthroline and aliphatic aminomethylphosphines or triphenylphosphine

The luminescent complexes of triphenylphosphine and two interesting aminomethylphosphines: P(CH(2)N(CH(2)CH(2))(2)NCH(3))(3) and P(CH(2)N(CH(2)CH(2))(2)O)(3) with copper(I) iodide and 2,9-dimethyl-1,10-phenanthroline (dmp): [CuI(dmp)PPh(3)], [CuI(dmp)P(CH(2)N(CH(2)CH(2))(2)NCH(3))(3)] and [CuI(phen)P(CH(2)N(CH(2)CH(2))(2)O)(3)] are presented in this work. These complexes were characterized in solution by means of NMR spectroscopy and their structures were crystallographically determined in the solid state. All complexes crystallize as the discrete dimers bound by π-stacking interactions between dmp rings. The coordination geometry about the Cu(I) centre is pseudo-tetrahedral showing small flattening and large rocking distortions. The investigated compounds exhibit intense orange photoluminescence in the solid state (emission peaks at r.t.: λ(max) = 588-592 nm; τ = 1.7-2.2 and 6.4-10.0 μs; at 77 K: λ(max) = 605-612 nm; τ = 4.8-6.5 and 32-47 μs), which is several orders higher than the luminescence of the analogous complexes with 1,10-phenanthroline (phen). Electronic and structural properties of the [CuI(dmp/phen)PR(3)] complexes were characterized using DFT methods to interpret their photophysics. On the basis of TDDFT calculations the broad CT bands observed in UV-Vis spectra are interpreted as the two mixed transitions from σ(CuI) bond with a small admixture of σ(CuP) bond to π* phen or dmp ligand: (MX,MPR(3))LCT, while the emissions most probably occur from two triplet states which are in thermal equilibrium.     

Optimal partitioning of a measurable space into countably many sets

Summary A notion of an optimal partition of a measurable space into countably many sets according to given nonatomic probability measures is defined. It is shown that the set of optimal partitions is nonempty. Bounds for the optimal value are given and the set of optimal partitions is characterized. Finally, an example related to statistical decision theory is presented.     

Identification of volatiles from pineapple (Ananas comosus L.) pulp by comprehensive two-dimensional gas chromatography and gas chromatography/mass spectrometry

Combining qualitative data from the chromatographic structure of 2-D gas chromatography with flame ionization detection (GC×GC-FID) and that from gas chromatography-mass spectrometry (GC/MS) should result in a more accurate assignment of the peak identities than the simple analysis by GC/MS, where coelution of analytes is unavoidable in highly complex samples (rendering spectra unsuitable for qualitative purposes) or for compounds in very low concentrations. Using data from GC×GC-FID combined with GC/MS can reveal coelutions that were not detected by mass spectra deconvolution software. In addition, some compounds can be identified according to the structure of the GC×GC-FID chromatogram. In this article, the volatile fractions of fresh and dehydrated pineapple pulp were evaluated. The extraction of the volatiles was performed by dynamic headspace extraction coupled to solid-phase microextraction (DHS-SPME), a technique appropriate for slurries or solid matrices. Extracted analytes were then analyzed by GC×GC-FID and GC/MS. The results obtained using both techniques were combined to improve compound identifications.     

An analysis of mean life and lifetime of unstable elementary particles

A theoretical analysis of the concept of lifetime and mean life of unstable elementary particles is presented. New analytic formulas for lifetime and mean life as a function of decay width and the mass of unstable particle are derived for Breit-Wigner and Matthews-Salam energy distributions. It is demonstrated that, for unstable particles with a larger width or decay energy threshold, the deviation from the generally accepted mean life ^m = ^–1 is significant. The behavior of the decay law P(t) for small times is analyzed, and it is shown that the Breit-Wigner distribution violates the condition P(t = 0) = 0, whereas the Matthews-Salam distribution satisfies it.     

Brownian dynamics simulations on CPU and GPU with BD_BOX

There has been growing interest in simulating biological processes under in vivo conditions due to recent advances in experimental techniques dedicated to study single particle behavior in crowded environments. We have developed a software package, BD_BOX, for multiscale Brownian dynamics simulations. BD_BOX can simulate either single molecules or multicomponent systems of diverse, interacting molecular species using flexible, coarse-grained bead models. BD_BOX is written in C and employs modern computer architectures and technologies; these include MPI for distributed-memory architectures, OpenMP for shared-memory platforms, NVIDIA CUDA framework for GPGPU, and SSE vectorization for CPU.     

The continuous solution of a functional equation of Abel

Summary The functional equation(x) + (y) = (xf(y) + yf(x)) (1) for the unknown functionsf, and mapping reals into reals appears in the title of N. H. Abel's paper [1] from 1827 and its differentiable solutions are given there. In 1900 D. Hilbert pointed to (1), and to other functional equations considered by Abel, in the second part of his fifth problem. He asked if these equations could be solved without, for instance, assumption of differentiability of given and unknown functions. Hilbert's question was recalled by J. Aczél in 1987, during the 25th International Symposium on Functional Equations in Hamburg-Rissen. In particular Aczél asked for all continuous solutions of (1). An answer to his question is contained in our paper. We determine all continuous functionsf: I ,: A _f (I × I) and: I that satisfy (1). HereI denotes a real interval containing 0 andA _f (x,y) := xf(y) + yf(x), x, y I. The list contains not only the differentiable solutions, implicitly described by Abel, but also some nondifferentiable ones.Applying some results of C. T. Ng and A. Járai we are able to obtain even a more general result. For instance, the assertion (i.e. the list of solutions) remains unchanged if we replace continuity of and by local boundedness of orf(0)I from above or below. Strengthening a bit the assumptions onf we can preserve a large part of the assertion requiring only the measurability of either orf(0)I.     

The synthesis and characterisation of some nickel(0) complexes with π-bounded vinylsilicon ligands; the molecular structure of [Ni{P(C6H5)3}2{η-CH2CHSi(CH3)3}]

Reactions of the nickel(0) complexes [Ni(cod)₂] (in the presence of PP or [Ni(PPh₃)₂C₂H₄] with vinyl-siloxanes, -silanes or -silazanes yield, by displacement of alkene ligand, the new nickel π-complexes [Ni(PPh₃)₂(η-CH₂CHSi(OSiMe₃)₃)] (2), [{Ni(PPh₃)}₂{μ-(η-{(CH₂CH)₂SiMe}₂O})] (4), [Ni(PPh₃){η⁴-CH₂CHSi(Me)(μ-O)}₃] (5), [{Ni(η-CH₂CHSiMe₂)₂O}(η-CH₂CHSiMe₃)] (7) and the known complexes [Ni(PPh₃)₂(η-CH₂CHSiMe₃)] (1), [{Ni(PPh₃)}₂{μ-(η-(CH₂CH)₄Si})] (3), [{Ni(PPh₃)(η-CH₂CHSiMe₂)₂NH}] (6) obtained by a simple one pot synthesis, more efficiently than in hitherto published reports. The X-ray crystal structure of (1) shows a trigonal planar environment around the nickel atom.     

A look at multiparticle production via modified combinants

The European Physical Journal A - The transverse momentum ($$p_{T}$$) distribution of strange hadrons ($$K_{S}^{0}$$ and $$\varLambda $$) and multi-strange hadrons( $$\varXi $$ and $$\varOmega $$)...     

Two 1-substituted 4-nitro­imidazoles

Crystalline 4-nitro-1-phenyl­imidazole, C₉H₇N₃O₂, (I), and 4′-­nitro-1-phenyl-4,1′-bii­imidazole, C₁₂H₉N₅O₂, (II), contain C—H⃛O and C—H⃛N hydrogen bonds, connecting the mol­ecules into infinite chains. The aromatic fragments in both compounds are nearly planar. The dihedral angles between the benzene and imidazole rings are 26.78 (5)° in (I) and 29.36 (8)° in (II).