Structural and photophysical characterization, topological and conformational analysis of 2-o-tolyl-4-(3-N,N-dimethylaminophenyl-methylene)-oxazol-5-one

A novel oxazole-5-one derivative 2-o-tolyl-4-(3-N,N-dimethylaminophenylmethylene)-oxazol-5-one (TDPO) C₁₉H₁₈N₂O₂ is synthesized and characterized and the crystal structure is determined by X-ray crystallography. TDPO is monoclinic in the P2₁/c space group. The molecule adopts the Z configuration. To enlighten the flexibility of TDPO, the selected torsion angle is varied from −180° to 180° in each 10° separately, and the molecular energy profile is calculated and analyzed by density functional calculations. In addition, Bader’s QTAIM analysis is performed to investigate the intramolecular weak interactions.     

Electronic Properties of Interfaces between PCPDTBT and Prototypical Electrodes Studied by Photoemission Spectroscopy

We report on the electronic structure of poly[2,6‐(4,4‐bis‐ (2‐ethylhexyl)‐4H‐cyclopenta[2,1‐b;3,4‐b′]dithiophene)‐alt‐4,7(2,1,3‐benzothiadiazole)] (PCPDTBT), a promising low‐band‐gap donor material for efficient bulk heterojunction organic solar cells. Electronic properties of interfaces formed between PCPDTBT and prototypical electrodes [Au, indium‐tin‐oxide and poly(ethylene‐dioxythiophene): poly(styrenesulfonate)], obtained from X‐ray photoemission spectroscopy and ultraviolet photoemission spectroscopy, are evaluated. The formation of interface dipoles is observed, and their consequences for device performance are discussed. For the system PCPDTBT/Au chemical interactions occur, which may affect in particular the charge extraction at the corresponding interface.     

Magnetized strange quark matter solutions in f(R,T) gravity with cosmological constant

In this research, we have studied magnetized strange quark matter (SQM) solutions for Friedmann-Robertson-Walker (FRW) universe in f(R, T) gravity. To obtain exact solutions of modified field equations we have used $f(R,T)=R+2f\left(T\right)$ and $f(R,T)=f_1\left(R\right)+f_2\left(T\right)$ models given by Harko et al. (Harko et al. in Phys. Rev. D 84:024020, 2011) and $f(R,T)=R+f_3\left(T\right)$ model (here f₃ is an arbitrary function) with cosmological constant Λ. For t → ∞ we obtain $p=?\rho$ dark energy situation with small constant values of cosmological constant in three different f(R, T) gravitation models. In our solutions magnetic field does not observe also we have transformed our solutions from FRW universe to Static Einstein Universe (SEU) and we get f(R, T) gravity results for SEU universe. Finally we discussed our physical solutions.     

Synthesis and characterization of p-GaSe thin films and the analyses of I–V and C–V measurements of p-GaSe/p-Si heterojunction under electron irradiation

Gallium Selenide (GaSe) thin films were grown by the electrochemical deposition (ECD) technique on Indium tin oxide (ITO) and p-Si (100) substrates. The Electron paramagnetic resonance (EPR) spectrum of GaSe thin films’ growth on ITO was recorded at room temperature. According to EPR results, the g value of an EPR signal obtained for GaSe deposited on ITO is 2.0012?±?0.0005. In/GaSe/p-Si heterojunction was irradiated with high-energy (6?MeV) and low-dose (1.53?×?10¹⁰?e^??cm^?2) electrons. The ideality factor of the In/GaSe/p-Si device was calculated as 1.24 and barrier height was determined as 0.82?eV from I–V measurements before irradiation. Acceptor concentration, built-in potential and barrier height of the In/GaSe/p-Si device were also obtained as 0.72?×?10^14?cm^?3, 0.65?eV and 0.97?eV from C–V measurements, respectively. After irradiation, the ideality factor n and barrier height Φ_b values of the In/GaSe/p-Si device were calculated as 1.55 and 0.781?eV, respectively. Acceptor concentration, the built-in potential and barrier height values of the In/GaSe/p-Si device have also shown a decrease after 6?MeV electron irradiation. This change in heterojunction device parameters shows that current transport does not obey thermionic emission, and thus tunneling could be active due to the defects formed by irradiation at the In–GaSe interface.     

Determination of platinum, palladium and rhodium in Pt-catalysts by high performance thin layer chromatography using densitometry

The determination of palladium and platinum in alumina-supported bimetallic Pt-Re, Pd and Pt catalysts at the 0.03 and 0.3% (m/m) levels, respectively, and of rhodium and platinum in platinum sieve catalysts at the 0.04% (m/m) level and in the 4.75–19.75% (m/m) range, respectively, is described. The platinum group metals in fresh or spent catalysts are determined chromatographically using densitometry by forming theirN,N-diethyl-N-benzoylthiourea complexes. The precision of the method, %RSD, is 0.4–3.5, 2.2–6.7, and 4.2–6.0 for Pt, Pd and Rh, respectively. The accuracy was tested using alumina-based and active carbon platinum and palladium standards. The results were also compared with those obtained by FAAS. There was at most 8% difference between the results obtained with these methods, except for one active carbon based Pd standard.     

Synthesis,structural characterization,and DFT calculations of 3-buthyl-4-(3-methyl-3-mesitylcyclobut-1-yl)-1,3-thiazole-2(3<Emphasis Type="Italic">H</Emphasis>)-thione

The title compound, C₂₁H₂₉NS₂, has been synthesized and its crystal structure has been determined from single crystal X-ray diffraction data. Crystals are monoclinic, a = 11.4923(8), b = 13.1842(7), c = 14.6583(8) Å, β = 109.983(6)°, sp. gr. P2₁/c, Z = 4. Mesityl and thiazole groups are in cis positions with respect to the cyclobutane ring. The cyclobutane ring is puckered, with a dihedral angle of 26.6(2)° between the two three-atom planes. The crystal structure involves one weak intermolecular C–H···S hydrogen-bond. The molecular geometry was also optimized using density functional theory (DFT/B3LYP) method with the 6-311G(d, p) basis set in ground state. Geometric parameters (bond lengths, bond angles and torsion angles) and vibrational assignments have been calculated theoretically and compared with the experimental data.     

Synthesis and structural characterization of Palladium(II) complex bearing <Emphasis Type="Italic">N</Emphasis>-Heterocyclic Carbene

Trans-Bis[1,3-bis(2,4-dimethylphenylimidazolidin-2-ylidene)]dichloropalladium(II), 4, was prepared from 1,3-bis(2,4-dimetilphenyl)imidazoliniumchloride. The crystal and molecular structure of 4 have been determined by single crystal X-ray diffraction. The title compound, C₃₈H₄₄N₄PdCl₂, crystalizes in the monoclinic space group P 21/n with a = 13.8713(9) Å, b = 12.1365(6) Å, c = 21.5499(15) Å. The Pd atom has a slightly distorted square planar coordination geometry. The molecules of the title compound are linked by C–H···Cl weak hydrogen bonds into two-dimensional sheets parallel to the (001) plane. In addition, the title compound was characterized by elemental analyses and NMR spectroscopy.     

Small signal intensity modulation of external cavity lasers with fiber Bragg gratings

The small signal intensity modulation (IM) of a hybrid soliton pulse source (HSPS) utilizing Gaussian apodized fiber Bragg grating (FBG) is described using electric field approach. The HSPS is modeled by a time-domain solution of the coupled-mode equations. It is shown that type of external cavity is important effect on resonance peak spectral splitting (RPSS) in IM response as well as effect of laser and FBG parameters. It is also shown that the RPSS can be suppressed by using linearly chirped Gaussian apodized FBG as an external cavity insted of Gaussian apodized FBG.     

New phosphine oxide aziridinyl phosphonates as chiral Lewis bases for the Abramov-type phosphonylation of aldehydes

A series of Lewis bases were screened for Abramov-type phosphine additions to aldehydes. A novel phosphine oxide aziridinyl phosphonate POAP-A was found to be better than the others in forming the product in 96% yield and with 42% ee. The absolute configuration of the newly synthesized POAP Lewis bases was determined by single-crystal X-ray analysis.     

Energy Momentum Distributions of Texture and?Monopole Metrics in General Relativity

The aim of this study is to investigate the energy-momentum distributions of texture and monopole topological defects metrics in general relativity (GR). For this aim Einstein, Bergmann-Thomson, Landau-Lifshitz (LL), M?ller and Papapetrou energy-momentum densities have been used in general relativity theory. We obtained that (i) for the texture metric only Einstein and Bergmann-Thomson energy densities give the same results but the others energy and momentum densities do not provide the same results in GR; (ii) for the monopole metric, while Einstein, Bergmann-Thomson and Papapetrou energy and momentum densities are giving the same energy-momentum results, M?ller and Landau-Lifshitz densities do not give the same energy results with the other definitions in GR.