Photochemical reactions of M(CO)6 (M = Cr,Mo, W) with Ph2P(S)P(S)Ph2

New complexes {M(CO)₄[Ph₂P(S)P(S)Ph₂]} (M = Cr, Mo and W), (1a)–(3a), [(1a), M = Cr; (2a), M = Mo; (3a), M = W] and {M₂(CO)₁₀[-Ph₂P(S)P(S)Ph₂]} (M = Cr, Mo, W), [(1b)–(3b) [(1b), M = Cr; (2b), M = Mo; (3b), M = W]] have been prepared by the photochemical reaction of M(CO)₆ with Ph₂P(S)P(S)Ph₂ and characterized by elemental analyses, f.t.-i.r. and ³¹P-(¹H)-n.m.r. spectroscopy and by FAB-mass spectrometry. The spectra suggest cis-chelate bidentate coordination of the ligand in {M(CO)₄[Ph₂P(S)P(S)Ph₂]} and cis-bridging bidentate coordination of the ligand between two metals in (M = Cr, Mo and W).     

Photochemical reactions of metal carbonyls [M(CO)6 (M = Cr,Mo and W), Re(CO)5Br,Mn(CO)3Cp] with 2-hydroxyacetophenone methanesulfonylhydrazone (apmsh)

Five new complexes, [M(CO)₅(apmsh)] [M = Cr; (1), Mo; (2), W; (3)], [Re(CO)₄Br(apmsh)] (4) and [Mn(CO)₃(apmsh)] (5) have been synthesized by the photochemical reaction of metal carbonyls [M(CO)₆] (M = Cr, Mo and W), [Re(CO)₅Br], and [Mn(CO)₃Cp] with 2-hydroxyacetophenone methanesulfonylhydrazone (apmsh). The complexes have been characterized by elemental analysis, mass spectrometry, f.t.-i.r. and ¹H spectroscopy. Spectroscopic studies show that apmsh behaves as a monodentate ligand coordinating via the imine N donor atom in [M(CO)₅(apmsh)] (1–4) and as a tridentate ligand in (5).     

A polynomial approximation for arbitrary functions

We describe an expansion of Legendre polynomials, analogous to the Taylor expansion, for approximating arbitrary functions. We show that the polynomial coefficients in the Legendre expansion, and thus, the whole series, converge to zero much more rapidly compared to those in the Taylor expansion of the same order. Furthermore, using numerical analysis with a sixth-order polynomial expansion, we demonstrate that the Legendre polynomial approximation yields an error at least an order of magnitude smaller than that of the analogous Taylor series approximation. This strongly suggests that Legendre expansions, instead of Taylor expansions, should be used when global accuracy is important.     

FTIR spectroscopic and quantum chemical studies on hydantoin

In this study the geometry optimization of monomeric and dimeric forms (D1, D2, and D3) of hydantoin molecule were done using DFT method employing 6?C31++G(d, p) basis set. Harmonic and anharmonic wavenumbers and infrared intensities were computed at the same theory level. Experimental IR spectrum was recorded in the region 400?C4000 cm^?1. It has also been characterized by 1H and 13C NMR spectrum. The hydrogen bond (HB) interaction of hydantoin was analyzed via dimers of hydantoin. Detailed vibrational wavenumber shifts and all vibrational mode analyses were reported. Total energy distributions (TED, %) calculations were done to characterize the fundamentals.     

Cross-section calculations of proton induced (p,n) and (p,2n) reactions for production of diagnostic 67Ga, 81Rb, 111In, 123,124I, 123Cs and 123Xe radioisotopes

Investigation of pre-equilibrium (PEQ) and equilibrium (EQ) effects on proton induced reactions for production of radioisotopes are very important. Therefore, in this study, we have calculated the PEQ and EQ cross-sections for ⁶⁷Zn(p,n)⁶⁷Ga, ⁶⁸Zn(p,2n)⁶⁷Ga, ⁸²Kr(p,2n)⁸¹Rb, ¹¹¹Cd(p,n)¹¹¹In, ¹¹²Cd(p,2n)¹¹¹In, ¹²³Te(p,n)¹²³I, ¹²⁴Te(p,2n)¹²³I, ¹²⁴Te(p,n)¹²⁴I and ¹²⁴Xe(p,2n)¹²³Cs reactions for production diagnostic radioisotopes. Calculations have been performed by using the hybrid model, geometry dependent hybrid model and full exciton model of PEQ reaction mechanism with 1–40 MeV proton incident energy. We have also investigated the EQ effects on these reactions using the Weisskopf–Ewing model in the same energy range. The excitation functions including the PEQ and EQ effects on these reactions are evaluated by using the ALICE/ASH (2006) and the TALYS 1.4 (2011) codes. Our results have shown that using these codes is suitable for production diagnostic isotopes mentioned above. To obtain excitation functions for producing the diagnostic radioisotopes the PEQ mechanism has been found more dominant than that of the EQ. The results are discussed and compared with the available experimental data.     

Preparation and characterization of electrospun nanofiber-coated membrane separators for lithium-ion batteries

Nanofiber-coated membrane separators were prepared by electrospinning polyvinylidene fluoride-co-chlorotrifluoroethylene (PVDF-co-CTFE) nanofibers onto three different microporous membrane substrates. The nanofibers on the membrane substrates showed uniform morphology with average fiber diameters ranging from 129 to 134 nm. Electrolyte uptakes, ionic conductivities, and interfacial resistances were studied by soaking the nanofiber-coated membrane separators with a liquid electrolyte solution of 1 M lithium hexafluorophosphate in ethylene carbonate/dimethylcarbonate/ethylmethyl carbonate (1:1:1 by volume). Compared with uncoated membranes, nanofiber-coated membranes had greater electrolyte uptakes and lower interfacial resistances to the lithium electrode. It was also found that after soaking in the liquid electrolyte solution, nanofiber-coated membranes exhibited higher ionic conductivities than uncoated membranes. In addition, lithium-ion half cells containing nanofiber-coated membranes were evaluated with a LiFePO₄ cathode for charge–discharge capacities and cycle performance. The cells containing a nanofiber-coated separator membrane showed high discharge specific capacities and good cycling stability at room temperature. Results demonstrated that coating PVDF-co-CTFE nanofibers onto microporous membrane substrates is a promising approach to obtain new and high-performance separators for rechargeable lithium-ion batteries.     

Ultrasound-assisted ozone bleaching of cotton

In this study, the effects of ultrasound on ozone treatment processes for bleaching cotton fabrics were investigated and compared with the conventional hydrogen peroxide bleaching process (60 °C over 90 min). Two ultrasonic + ozone treatments of cotton fabric samples were carried out: (1) ozone in an ultrasonic homogenizer (UH) and (2) ozone in an ultrasonic bath. Ozone dosages, temperature and time variations were determined with both ozone-ultrasonic bleaching processes. Whiteness, yellowness, weight, tensile strength properties, FTIR (ATR) spectra and visual appearance, via scanning electron microscopy of treated cotton fabrics as well as chemical oxygen demand (COD) of bleaching effluents, were investigated. It was concluded that the ozone + UH process, conducted for 30 min at 30 °C, produced closely equivalent values of cotton fabric whiteness and yellowness to the classic peroxide bleaching process, with slightly less weight loss, dramatically less COD in the process effluent (29 mg/l for ozone-UH vs. 4,316 mg/l for classical peroxide treatment), and without causing any adverse and/or detrimental effects on loss of fabric strength or elongation of the cotton fabrics. The ozone-UH process also leads to time and energy savings with much less environmental impact. Consequently, the combination of ozonation plus UH carried out at 30 °C over 30 min can be used successfully for cotton bleaching instead of the classic hydrogen peroxide bleaching process.     

On algebraic K-theory of real algebraic varieties with circle action

Assume that X is a compact connected orientable nonsingular real algebraic variety with an algebraic free S¹-action so that the quotient Y=X/S¹ is also a real algebraic variety. If π : X→Y is the quotient map then the induced map between reduced algebraic K-groups, tensored with ,

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is onto, where , denoting the ring of entire rational (regular) functions on the real algebraic variety X, extending partially the Bochnak–Kucharz result that

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for any real algebraic variety X. As an application we will show that for a compact connected Lie group G .     

Neutron Structure Properties of Titanium in a Supernova

Physics of Atomic Nuclei - We calculated important neutron matter properties of $${}^{44}$$ Ti in the envelope of supernova SN 1987A and its isotopic chain ( $$12\leqslant N\leqslant 82$$ ) using...     

Investigation of the influence of different commercial softeners on the stability of poly(lactic acid) fabrics during storage

We have studied the potential degradation of poly(lactic acid)-based fabrics treated with commercial softeners and stored under two sets of conditions for one year. Initial wet-processing caused a fall in molecular weight of about 28%, irrespective of after-treatment. Storage at 40 °C and 80% RH produced further degradation which, with few exceptions, was aggravated by the presence of softeners. Ultimately, all samples degraded beyond the point of commercial usefulness. No clear distinction could be made between the effects of softeners having differing compositions. In contrast, fabrics stored under milder conditions of 23 °C and 50% RH showed no significant time-dependent polymer degradation, irrespective of the treatment applied. There were slight changes in tensile properties and some evidence of physical structural effects having occurred, which we attribute to physical aging. However, we do not believe these to be so serious as to call into question the long-term viability of PLA-based textile products.