Penetration of solar radiation into the waters of Messina Strait (Italy)

The optical properties of the waters of five different stations, three located in the Messina Strait and two near the Strait (open sea), were analysed. Direct spectral measurements of the downward solar irradiance (290 - 800 nm) at different depths (0.5 m, 7 m, 10 m, 13 m, 20 m) were made using a cosine sensor connected to a spectroradiometer. Water samples were collected in the surface layer and their absorption spectra were analysed. The natural fluorescence profiles, along the water column, were determined using a fluorometer (SBE 911plus - Sea Teach). The spectral attenuation coefficient (K(lambda)), the variation of K(lambda) in different wavelength ranges (deltaK(deltalambda)), the wavelength corresponding to minimum value of K(lambda), the spectral depths of penetration of both 1% and 10% of the sub-surface irradiance values (P(lambda)), the depths of 1% of penetration of UVB, UVA and PAR, the depth ranges of the maxim concentration of Chl a and superficial CDOM were measured at each station. The maximum solar UVB penetration was about 65% of the photic zone and the maximum UVA penetration was nearly 100% (data of the Ionic sea station). Thus, a large part of the photic zone was exposed to UV radiation sufficient to cause a possible reduction in the photosynthetic activity of phytoplankton. The spectral penetration of solar radiation, especially UVB radiation, was significantly different in the three stations of the Strait with respect to the two stations studied in the open sea. This shows that variations in the spectral attenuation along the water column can be used as an indicator of properties of the water body.     

2,5-Dimethyl-3,4-bis[(2R,5R)-2,5-dimethylphospholano]thiophene: first member of the hetero-DuPHOS family

[reaction: see text] The 2,5-dimethyl-3,4-bis[(2R,5R)-2,5-dimethylphospholano]thiophene (UlluPHOS), a new thiophene-based analogue of (R,R)-1,2-bis(phospholano)benzene (Me-DuPHOS), was synthesized, geometrically and electronically characterized, and employed as ligand of Rh and Ru in some standard hydrogenation reactions of prostereogenic functionalized carbon-carbon and carbon-oxygen double bonds. The synthesis of UlluPHOS is much easier than that provided for Me-DuPHOS. UlluPHOS and Me-DuPHOS display very similar geometries, while the electronic availability of the former is higher than that exhibited by the latter. The Rh and Ru complexes of UlluPHOS produced excellent enantiomeric excesses (98.9-99.5%) in the hydrogenation of N-acetyl-alpha-enamino acids and reaction rates higher than those found when employing the analogous complexes of Me-DuPHOS.     

Microsolvation of LiH+ in helium clusters: many-body effects and additivity models for the interaction forces

The ab initio calculation of the interaction forces between the LiH+ molecular ion, at its equilibrium geometry, and several He atoms is carried out in order to isolate and assess the importance of many-body contributions in the search for realistic energy and geometry data. The full potential energy surface (PES) with a single helium partner is obtained first by using an aug-cc-pVQZ basis set for He and higher quality ones for Li and H. The calculations were performed at the CAS-SCF plus MRCI level for the lowest potential energy surface over a total of 480 grid points of the two intermolecular Jacobi coordinates, whereas the excited state surface has also been examined in order to exclude the presence of any significant nonadiabatic interaction between the two PESs. A numerical fit of the lower surface is presented and the general physical changes of the ionic interaction when going from the lower to the upper of the two potentials are described and discussed. The fairly limited importance of many-body effects for such systems is seen from further ab initio calculations including several He atoms: our results suggest that, at least in the present case, no strong charge migration occurs after He attachment, and therefore, one could realistically model larger clusters by implementing a sum-of-potentials approach via the presently computed PES.     

Critical currents in quasiperiodic pinning arrays: chains and Penrose lattices

We study the critical depinning current Jc versus the applied magnetic flux Phi, for quasiperiodic (QP) chains and 2D arrays of pinning centers placed on the nodes of a fivefold Penrose lattice. In QP chains, the peaks in Jc(Phi) are determined by a sequence of harmonics of the long and short segments of the chain. The critical current Jc(Phi) has a remarkable self-similarity. In 2D QP pinning arrays, we predict analytically and numerically the main features of Jc(Phi), and demonstrate that the Penrose lattice of pinning sites provides an enormous enhancement of Jc(Phi), even compared to triangular and random pinning site arrays. This huge increase in Jc(Phi) could be useful for applications.     

Strong interaction corrections to CP violation in B0-B0 mixing

We calculate, in the framework of the standard six-quark model and QCD, the corrections due to strong interactions to the transition width for the $\text{B}{}^0\text{-}\text{B}{}^0$ system, focusing our attention on CP-violating effects.     

Ab initio valence bond calculations. X. Vertical valence ionization potentials of allene and butatriene

The ground and vertical valence ionized states of allene and butatriene have been studied in the ab initio valence bond framework using the 6–31G basis set after contraction and introducing the core–valence shell separation. The final wave functions have been analyzed in terms of VB structures by means of population analysis.     

An EPR study of rhodium oxihydroxide

Rhodium oxihydroxide has been synthesized by means of hydrothermal synthesis at 1500 bars and 600°C in acidic media. Powder X-ray diffraction shows small variations in cell parameters which appear to be related to the oxidizing power of the reaction media. On the basis of EPR work such variations can be attributed to the presence of small amounts of either Rh(II) or Rh(IV). This last species had not been fully characterized before by EPR in oxide-like materials. The paramagnetic species seem to be noninteracting and randomly distributed in the Rh(III) sites. These results can be understood on the basis of two different kinds of nonstoichiometry for rhodium oxihydroxide: either proton or hydroxyl ion defects.     

Les états de coaction. Aspects spécifiques et influence opérationnelle

Meccanica - Il rapporto si propone di delineare gli aspetti specifici degli equilibri per coazione. A tal fine vengono, in primo luogo, raffrontati gli equilibri da forze e quelli da deformazioni...     

Tetraphenylethylene-BODIPY aggregation-induced emission luminogens for near-infrared polymer light-emitting diodes

The aggregation-induced emission(AIE) phenomenon provides a new direction for the development of organic light-emitting devices. Here, we present a new class of emitters based on 4,4-difluoro-4-bora-3 a,4 a-diaza-s-indacene(BODIPY), functionalized at different positions with tetraphenylethylene(TPE), which is one of the most famous AIE luminogens. Thanks to this modification, we were able to tune the photoluminescence of the BODIPY moiety from the green to the near-infrared(NIR)spectral range and achieve PL efficiencies of ~50% in the solid state. Remarkably, we observed an enhancement of the AIE and up to ~100% photoluminescence efficiencies by blending the TPE-substituted BODIPY fluorophores with a poly[(9,9-di-noctylfluorene-2,7-diyl)-alt-(benzo[2,1,3]thiadiazol-4,7-diyl)](F8 BT) matrix. By incorporating these blends in organic lightemitting diodes(OLEDs), we obtained electroluminescence peaked in the range 650–700 nm with up to 1.8% external quantum efficiency and ~2 m W/cm2 radiance, a remarkable result for red/NIR emitting and solution-processed OLEDs.