γ-Hydroxypropyl-functionalised iron thiolate complexes: crystal and molecular structure of [{Fe2(CO)6(μ-SCH2CH2CH2OH)}2(μ4-S)]

The γ-hydroxypropyl-functionalised diiron dithiolate complex [Fe₂(CO)₆(μ-SCH₂CH₂CH₂OH)₂] is prepared upon thermolysis of Fe₃(CO)₁₂ and HO(CH₂)₃SH and further reaction with dppm (dppm = Ph₂PCH₂PPh₂) affords [Fe₂(CO)₄(μ-dppm)(μ-SCH₂CH₂CH₂OH)₂]. From the reaction of Fe₃(CO)₁₂ with dppm(S₂) a minor product is the tetrairon cluster, [{Fe₂(CO)₆(μ-SCH₂CH₂CH₂OH)}₂(μ⁴-S)], the mode of formation of which is unclear. It has been crystallographically characterised and adopts a μ⁴-S bridged double butterfly structure which is compared with other crystallographically characterised complexes of this type. Electronic supplementary material  The online version of this article (doi:) contains supplementary material, which is available to authorized users.     

Comparison of the Optoelectronic Performance of Neutral and Cationic Forms of Riboflavin

The riboflavin dye 2,3,4,5-tetra-O-acetyl-1-[3-(6-bromohexyl)-7,8-dimethyl-2,4-dioxo-3,4-dihydrobenzo[g]pteridin-10(2H)-yl]-1-deoxypentitol and its pyridinium salt were synthesized, and studied by absorption and fluorescence spectroscopy in solutions and on thin film states. The first absorption band of riboflavin-pyridinium salt derivative is red-shifted by 10 nm compared to neutral one on film. Cationic riboflavin derivative shows significant wavelength changes on its fluorescence emission spectrum in the excited state depending on the solvent polarity and the electronic environment. The fluorescence quantum yields of cationic riboflavin gave much higher values as compared to that of its neutral form. The fluorescence lifetimes were found to be in the range of 5.5–6.6 ns with mono ? exponential behavior. These dyes possess low-lying HOMO energy levels which are suitable to be able to inject holes to donor polymers so that they can be used as acceptor component in the active layer of bulk heterojunction solar cells (BHJ-SCs). Photovoltaic responses are reported for P3HT:riboflavin active layer wherein the synthesized dyes are used as acceptor component. Also, neutral riboflavin shows greater electron mobility value of 1.3 × 10^?3 cm²/V?s compared to its cationic derivative.     

Neutral Higgs sector of the MSSM with explicit CP violation and non-holomorphic soft breaking

Using the effective potential method, we computed one-loop corrections to the mass matrix of neutral Higgs bosons of the Non-Holomorphic Supersymmetric Standard Model (NHSSM) with explicit CP violation, where the radiative corrections due to the quarks and squarks of the third generation were taken into account. We observed that the non-holomorphic trilinear couplings can compete with the holomorphic ones in CP violating issues for the mass and mixing of the neutral Higgs bosons.     

Insulator-to-metal transition in selenium-hyperdoped silicon: observation and origin

Hyperdoping has emerged as a promising method for designing semiconductors with unique optical and electronic properties, although such properties currently lack a clear microscopic explanation. Combining computational and experimental evidence, we probe the origin of sub-band-gap optical absorption and metallicity in Se-hyperdoped Si. We show that sub-band-gap absorption arises from direct defect-to-conduction-band transitions rather than free carrier absorption. Density functional theory predicts the Se-induced insulator-to-metal transition arises from merging of defect and conduction bands, at a concentration in excellent agreement with experiment. Quantum Monte Carlo calculations confirm the critical concentration, demonstrate that correlation is important to describing the transition accurately, and suggest that it is a classic impurity-driven Mott transition.     

Assesment of dimethyl phthalate removal from aqueous phase using barium hexaferrite containing magnetic beads

The barium hexaferrite (BaFe(12)O(19)) containing magnetic poly (ethylene glycol dimethacrylate-vinyl pyridine; mag-poly [EGDMA-VP]) beads (average diameter=53-212 μm) were synthesized and characterized. Their use as an adsorbent in the removal of dimethyl phthalate (DMP) from an aqueous solution was investigated. The mag-poly (EGDMA-VP) beads were prepared by copolymerizing of 4-vinyl pyridine (VP) with ethylene glycol dimethacrylate (EGDMA). The mag-poly (EGDMA-VP) beads were characterized by N(2) adsorption/desorption isotherms (BET), vibrating sample magnetometer (VSM), X-ray powder diffraction (XRD), elemental analysis, scanning electron microscope (SEM), and swelling studies. At a fixed solid/solution ratio, the various factors affecting the adsorption of DMP from aqueous solutions such as pH, initial concentration, contact time, and temperature were analyzed. The maximum DMP adsorption capacity of the mag-poly (EGDMA-VP) beads was determined as 96.2 mg/g at pH 3.0, 25 °C. All the isotherm data can be fitted with both the Langmuir and the Dubinin-Radushkevich isotherm models. The pseudo-first-order, pseudo-second-order, Ritch-second-order, and intraparticle diffusion models were used to describe the adsorption kinetics. The thermodynamic parameters obtained indicated the exothermic nature of the adsorption. The DMP adsorption capacity did not change after 10 batch successive reactions, demonstrating the usefulness of the magnetic beads in applications.     

TiO2 embedded hydrothermally synthesized carbon composite as interlayer for lithium-sulfur batteries

Journal of Solid State Electrochemistry - Lithium-sulfur battery chemistry is one of the best alternatives to meet the demand of future electric vehicles providing high theoretical capacity and...     

Removal of copper (Cu2+) from water by sulfonated cellulose

Water insoluble sulfonated cellulose was prepared and applied for Cu²⁺ removal from water. The effects of sorbent dose, initial solution pH, temperature and initial Cu²⁺ concentration on the removal performance of sulfonated cellulose were investigated. Isothermal data were modeled with the Langmuir and Freundlich isotherm models. The Cu²⁺ sorption onto sulfonated cellulose followed the Langmuir isotherm model with the maximum sorption capacity of 8.2?mg-Cu²⁺/g. Removal of Cu²⁺ showed rapid initial kinetics; in 3?min removal of Cu²⁺ reached equilibrium status. Thermodynamic study revealed an exothermic sorption process. In addition, sulfonated cellulose is a kind of green and renewable sorbent because it can be easily regenerated by 0.1?M HCl.     

Antiferromagnetic Coupling in a New Mn(III) Schiff Base Complex with Open-Cubane Core: Structure,Spectroscopic and Luminescence Properties

A new open-cubane Mn^III, [{(H₂O)Mn^IIIL}{Mn^IIIL}]₂·2(CH₃OH).2(CH₃CH₂OH)·2Cl, 1 where H ₂ L=[N-(2-hydroxyethyl)-3-methoxysalicylaldimine] has been synthesized and characterized by element analysis, FT-IR, solid UV–Vis spectroscopy and single crystal X-ray diffraction. The crystal structure determination shows an open-cubane tetranuclear complex. The Mn1 (Mn1ⁱ) ions is hexacoordinate by NO₅ donor sets while the Mn2 (Mn2ⁱ) is pentacoordinate by NO₄ donor sets. The solid state photoluminescence properties of complex 1 and its ligand H ₂ L have been investigated under UV light at 349 nm in the visible region. H ₂ L exhibits blue emission while complex 1 shows orange-red emission at room temperature. Variable-temperature magnetic susceptibility measurements on the complex 1 in the range 2–300 K indicate an antiferromagnetic interaction.     

Allyl palladium dithiocarbamates and related dithiolate complexes as precursors to palladium sulfides

Allyl-palladium dithiocarbamate complexes, [Pd(allyl)(S₂CNR₂)], have been prepared from the addition of dithiocarbamate salts to [Pd(allyl)(μ-Cl)]₂ and TGA and DSC studies have been carried out in order to assess their potential as MOCVD precursors to palladium sulfides. For comparison [(η³-C₄H₇)Pd(S₂PPh₂)] and [Pd(S₂CNMeR)₂] (R = Bu, Hex) have also been prepared and tested as precursors. The unsymmetrical dithiocarbamate complex, [(η³-C₃H₅)Pd(S₂CNMeHex)], which has a melting point of 65 °C was selected as the best single source precursor and thin films of predominantly Pd_2.8S were deposited on glass slides. The crystal structures of [(η³-C₄H₇)Pd(S₂CNMe₂)], [(η³-C₄H₇)Pd(S₂CNPr₂)], [(η³-C₄H₇)Pd(S₂PPh₂)] and [Pd(S₂CNMeBu)₂] are reported. All except [(η³-C₄H₇)Pd(S₂CNPr₂)] show weak intermolecular S?H or Pd?H interactions.     

The changes in transformation temperatures under stress of Cu-12.7Al-5Ni-2Mn alloy

The effects of the stress on shape memory properties of Cu-12.7Al-5Ni-2Mn shape memory alloy have been investigated. Applied stress increases transformation temperatures and the relationship between T₀, temperature at which Gibbs free energy of austenite equals that of martensite, and plastic deformation is linear.