Compositional-dependent enhanced physicochemical and photovoltaic studies of nanocrystalline Ti1-xFexO2-δ photoelectrodes co-sensitized with CdS QDs-N719 dye

Journal of Solid State Electrochemistry - Ti1-xFexO2-δ nanoparticles (NPs) with varying content of Fe (III) ions (x = 0.008 to 0.024 and δ =0.5x) were synthesized using sol-gel method at...     

Chemical Composition and Biological Activity of Essential Oil of Phoebe wightii

Chemistry of Natural Compounds -     

Synthesis of bis(pyrrol-2-yl)arenes by Pd-catalyzed cross coupling

2-Borylpyrrole was prepared from 2-iodopyrrole almost quantitatively and then reacted with dihaloarenes under typical reaction conditions of Suzuki-Miyaura cross coupling to give bis(pyrrol-2-yl)arenes in good yields, while the cross coupling reaction of 2-iodopyrrole with 1,4-phenylenebisboronic acid was susceptible to oxidative self-coupling to produce 4,4′-bis(pyrrol-2-yl)biphenyl as a byproduct. These bis(pyrrol-2-yl)arenes showed strong fluorescence.     

Magnetic moments of decuplet baryons in an independent particle potential model

Magnetic moments of decuplet baryons have been calculated in a relativistic independent quark model with a phenomenological potential in equally mixed scalar-vector harmonic form. Such a model has been successful in describing wide ranging hadronic phenomena in mesonic and baryonic sectors. Using the solutions of the constituent quark orbitals with the model parameters taken from its earlier applications, the magnetic moments of decuplet baryons Δ⁺⁺ and Ω⁻ have been obtained which are in good agreement with the available experimental data. However, the agreement is found to be much better when the magnetic moment ratios such as μ_δ++/μ _p and μ_Ω-/μ_Λ are considered. Model predictions for the magnetic moments of other decuplet baryons together with the charge radii have also been calculated which may be verified in future experiments.     

Comparison of resonant tunneling in AlGaAs/GaAs parabolic and diffusion modified quantum wells

Double barrier resonant tunneling diode using annealing induced diffusion modified quantum well is proposed as a viable alternative to that using parabolic quantum well which requires complex techniques to fabricate it. The transmission coefficients are calculated using the hybrid incremental airy function plane wave approach. The room temperature current-voltage characteristics have been calculated using transmission coefficients. The current-voltage characteristics are found to be similar in both diodes.     

Nonlinear finite element analysis of functionally graded plates integrated with patches of piezoelectric fiber reinforced composite

In this paper, a nonlinear static finite element analysis of simply supported smart functionally graded (FG) plates in the presence/absence of the thermal environment has been presented. The substrate FG plate is integrated with the patches of piezoelectric fiber reinforced composite (PFRC) material which act as the distributed actuators of the plate. The material properties of the FG substrate plate are assumed to be temperature dependent and graded along the thickness direction according to a simple power-law distribution in terms of the volume fractions of the constituents. The derivation of this nonlinear thermo-electro-mechanical coupled finite element model is based on the first order shear deformation theory and the Von Karman type geometric nonlinearity. The numerical solutions of the nonlinear equations of the finite element model are obtained by employing the direct iteration method. The numerical illustrations suggest the potential use of the distributed actuator made of the PFRC material for active control of nonlinear deformations of smart FG structures. The effects of volume fraction index of the FG material of the substrate plates and the locations of the PFRC patches on the control authority of the patches are investigated. Emphasis has also been placed on investigating the effect of variation of piezoelectric fiber orientation angle in the PFRC patches on their actuation capability for counteracting the large deflections of FG plates.     

Working group report: Astroparticle and neutrino physics

The working group on astroparticle and neutrino physics at WHEPP-9 covered a wide range of topics. The main topics were neutrino physics at INO, neutrino astronomy and recent constraints on dark energy coming from cosmological observations of large scale structure and CMB anisotropy.     

Critical view on the recent enantioselective synthesis of alcohols,amines and related molecules having tertiary benzylic stereocenter

Stereochemically defined enantioenriched molecules were, are and will always be playing a pivotal role in the development of novel pharmaceutical agents. On this line, compounds having tertiary benzylic stereocenter are of special note. This has led to an increase in the development of novel synthetic strategies for accessing molecules having this structural moiety. The current critical discussion proposes to describe the various synthetic methodologies for the enantioselective synthesis of diaryl methanols, diarylmethyl amines and other related scaffolds with tertiary benzylic stereogenic center that came up during 1995–2016. Through this critical view, we would not only like to give the readers a brief outlook on the different techniques that can be followed for the synthesis of a vast array of entities having this structural core, but also would like to highlight the limitations the protocols that need to be addressed.     

Rhenium chemistry of azooximes: oxygen atom transfer, azoimine chelation, and imine-oxime contrast

The concerned azooximes (L1OH, 1) are of type p-X-C6H4C(N2Ph)(NOH) (X = H, Me, Cl). The reaction of [Re(MeCN)Cl3(PPh3)2] with [Ag(L1OH)(L1O)] in cold dichloromethane-acetonitrile solvent has furnished the green colored ionized azoimine complex [ReV(O)Cl(PPh3)2(L1)](PF6), 2. In effect L1O- has undergone oxidative addition, the oxygen atom being transferred to the metal site. Upon treatment of [ReV(NPh)Cl3(PPh3)2] with L1OH in solution, the neutral azoimine complex [ReV(NPh)Cl3(L1H)], 3, resulted due to the spontaneous transfer of the oxime oxygen atom to a PPh3 ligand, which is eliminated as OPPh3. In contrast, the oxime of 2-acetylpyridine (L2OH, 4) did not undergo oxygen atom transfer and simply afforded the imine-oxime complex [ReV(NC6H4Y)Cl2(PPh3)(L2O)], 5, upon reacting with [ReV(NC6H4Y)Cl3(PPh3)2] (Y = H, Me, Cl). The spectral and electrochemical properties of 2, 3, and 5 and the structures of three representative compounds are reported. In the cation of 2 (X = H) the two PPh3 ligands lie trans to each other and the equatorial plane is defined by the five-membered azoimine chelate ring and the oxo and chloro ligands. The oxo ligand which forms a model triple bond (Re-O length 1.616(6) A) lies cis to the imine-N atom. In 3 (X = Cl) the ReCl3 fragment has meridional geometry and the imido nitrogen lies trans to the imine nitrogen of the planar azoimine chelate ring. In 5 x H2O (Y = Me), the Cl, oximato-N, and P atoms define an equatorial plane and the pyridine-N lies trans to the imido-N. The water of crystallization is hydrogen bonded to the oximato oxygen atom (O...O, 2.829(5) A). Reaction models in which chelation of the azooxime precedes oxygen atom transfer are proposed on the basis of oxophilicity of trivalent rhenium, Lewis acid activity of pentavalent rhenium, electron withdrawal by the azo group, and observed relative disposition of ligands in products.     

Synthesis and structure of the 2-(chlorophenylazo)pyridine chelated tricarbonylrhenium(I) complex and its anion radical derivatives <Emphasis Type="Italic">via</Emphasis> electrochemical reduction

Reacting Re(CO)₅Cl with the azopyridine ligand (1) (L) in boiling benzene afford the complex Re(CO)₃Cl(L), (2) in excellent yield [L=2-(p-Cl-C₆H₄NN)C₅H₄N]. The chelation of the azopyridine ligand accompanied by displacement of the two carbon monoxide ligands furnish a five-membered chelate ring. Structure determination of complex (2) has revealed a distorted octahedral ReC₃N₂Cl coordination sphere. The Re–N(pyridine) and, Re–N(azo) distances are 2.158(3) and 2.153(6) Å respectively, and the N–N length [1.273(4) Å], implicate relatively weak Re-azo(π*) back–bonding. The Re(CO)₃Cl(L) lattice consists of C–H...Cl hydrogen bonding and Cl...O non-bonded interactions constituting a supramolecular network. Extended Hückel calculations reveal that the LUMO of Re(CO)₃Cl(L) is Ca. 57% azo in character. One-electron quasireversible electrochemical reduction of the complex occurs near −0.3 V versus Saturated Calomel electrode(s.c.e.) The redox orbital is believed to belong to the above noted LUMO. Electrogenerated Re(CO)₃Cl(L^•–) underwent spontaneous solvolytic chloride displacement in MeCN, resulting in the isolation of Re(CO)₃(MeCN)(L^•–). The latter complex in turn reacted with imidazole and triphenylphosphine, furnishing Re(CO)₃(C₃H₄N₂)(L^•–) and Re(CO)₃(PPh₃)(L^•–), respectively. The pattern of carbonyl stretching frequencies of these radical anion complexes is similar to that of Re(CO)₃Cl(L) but with shifts to lower frequencies by 10–20 cm⁻¹. All three radical anion systems are one-electron paramagnetic (1.7–1.8 μ_B). The unpaired electron is primarily localized on the azoheterocycle ligand in a predominantly azo-π* orbital, but a small metal contribution (^{185, 187}Re, I=5/2) is also present. Thus Re(CO)₃(MeCN)(L^•–) and Re(CO)₃(C₃H₄N₂)(L^•–) display six-line e.p.r. spectra (A ˜ 28 G). The line shapes and intensities are characteristic of the presence of g-strain. In the case of Re(CO)₃(PPh₃)(L^•–) seven nearly equispaced lines are observed due to virtually equal coupling between the metal and ³¹P (I=&frac;) nuclei. The g-values of the radical species are slightly higher than the free-electron value of 2.0023.