Synthesis of tetraaryl-p-benzoquinones by Suzuki-Miyaura cross-coupling reactions of tetrabromo-p-benzoquinone

Suzuki-Miyaura cross-coupling reactions of tetrabromo-p-benzoquinone provide a convenient approach to tetraaryl-p-benzoquinones.     

Spatial-dependent probe transmission based high-precision two-dimensional atomic localization

Herein, we propose a scheme for the realization of two-dimensional atomic localization in aλ-type three-level atomic medium such that the atom interacts with the two orthogonal standing-wave fields and a probe field. Because of the spatially dependent atom-field interaction, the information about the position of the atom can be obtained by monitoring the probe transmission spectra of the weak probe field for the first time. A single and double sharp localized peaks are observed in the one-wavelength domain. We have theoretically archived high-resolution and high-precision atomic localization within a region smaller thanλ/25×λ/25. The results may have potential applications in the field of nano-lithography and advance laser cooling technology.     

Efficient two-dimensional atom localization in a five-level conductive chiral atomic medium via birefringence beam absorption spectrum

We have theoretically investigated two-dimensional atom localization using the absorption spectra of birefringence beams of light in a single wavelength domain.The atom localization is controlled and modified through tunneling effect in a conductive chiral atomic medium with absorption spectra of birefringent beams.The significant localization peaks are investigated in the left and right circularly polarized beam.Single and double localized peaks are observed in different quadrants with minimum uncertainty and significant probability.The localized probability is modified by controlling birefringence and tunneling conditions.These results may be useful for the capability of optical microscopy and atom imaging.     

Cyclization vs. Elimination Reactions of 5‐Aryl‐5‐hydroxy 1,3‐Diones: One‐Pot Synthesis of 2‐Aryl‐2,3‐dihydro‐4H‐pyran‐4‐ones

2‐Aryl‐2,3‐dihydro‐4H‐pyran‐4‐ones were prepared in one step by cyclocondensation of 1,3‐diketone dianions with aldehydes. The use of HCl (10%) for the aqueous workup proved to be very important to avoid elimination reactions of the 5‐aryl‐5‐hydroxy 1,3‐diones formed as intermediates. The TiCl₄‐mediated cyclization of a 2‐aryl‐2,3‐dihydro‐4H‐pyran‐4‐one with 1,3‐silyloxybuta‐1,3‐diene resulted in cleavage of the pyranone moiety and formation of a highly functionalized benzene derivative.     

Poly[dimethyldiphenylphosphonium [di‐μ4‐iodido‐tetra‐μ3‐iodido‐pentacopper(I)]]

The title compound, {(C₁₄H₁₆P)[Cu₅I₆]}_n, prepared from the reaction between copper powder, iodine and dimethyldiphenylphosphonium iodide in hydroxyacetone, features an anion that consists of a continuous two‐dimensional Cu–I sheet [Cu—I = 2.5960 (14)–2.6994 (13) Å and Cu—I—Cu = 63.28 (5)–114.25 (5)°]. The cation, which lies on a mirror plane, is a typical dimethyldiphenylphosphonium ion. The structure shows a strong tendency towards segregation of the inorganic and organic parts of the structure into separate subspaces. The two‐dimensional Cu–I sheet displays a pronounced subcell with pseudo‐tetragonal symmetry that is broken by ordered vacancies on the Cu position. The symmetry is further reduced by the orientation of the interleaved organic counter‐ion that is inclined with respect to the pseudo‐mirror planes defined by the Cu–I sheet normal, perpendicular to the b axis.     

Generalized framework for robust design of tuned mass damper systems

The primary purpose of this contribution is to develop a novel framework for generalized robust design of tuned mass damper (TMD) systems as passive vibration controllers for uncertain structures. This versatile strategy is intended to be free of any restriction on the structure-TMD system configuration, the performance criterion, and the number of uncertain parameters. The main idea pursued is to adopt methods and concepts from the robust control literature, including: (1) the linear fractional transformation (LFT) formulation pertaining to the structured singular value (μ) framework; (2) the concept of weighted multi-input multi-output (MIMO) norms for characterizing performance; and (3) a worst-case performance assessment method to avoid the unacceptable computation burden involved with exhaustive search or Monte Carlo methods in the presence of multiple uncertainties. Based on these, the robust design framework is organized into four steps: (1) modeling and casting the overall dynamics into the proposed LFT framework that isolates the TMD system as the controller, and the uncertainties as a structured perturbation to the nominal dynamics; (2) setting up the optimization problem based on generalized indices of nominal performance, robustness, and worst-case performance; (3) implementing a genetic algorithm (GA) for solution of the optimization problem; and (4) post-processing the results for systematic visualization, validation, and selection of preferred designs. This strategy has been implemented on several illustrative design examples involving a seismically excited multi-story building with different combinations of assumptions on the uncertainty, TMD configuration, excitation scenarios, and performance criteria. The resulting solution sets have been studied through various post-processing methods, including visualization of Pareto fronts, uncertain frequency response plots, time-domain simulations, and random vibration analysis.     

The comparative study in transport properties of furan, thiophene and selenophene dithiols in nano electronic

The electron transport properties of furan, thiophene and selenophene dithiols based molecular wires through two electrodic systems using non-equilibrium Green’s functions technique (NEGF) are investigated. The electron transport of the above systems is systematically studied by analysis of transmission function, density of states, current–voltage characteristics, and conductance of the systems. The maximum current is occurred at the vicinity of 2.0 V and the values are 90.37, 98.82 and 100.31 μA for furan, thiophene and selenophene dithiols, respectively. These results can be attributed to the molecular projected self consistent Hamiltonian (MPSH) of two electrodic systems with different molecules at different bias voltage and also to quality of resonance of π electrons of heterocyclic ring. We can foresee that the furan, thiophene, and selenophene dithiols can be applied at electronic devices because of switching the high and low current.     

Ammonia adsorption on the C30B15N15 heterofullerene: DFT study of nuclear magnetic shielding and electric field gradient tensors of N and B nuclei

Ammonia adsorption on the external surface of C₃₀B₁₅N₁₅ heterofullerene was studied using density functional calculations. Three models of the ammonia-attached C₃₀B₁₅N₁₅ together with the perfect model were optimized at the B3LYP/6-31G^? level. The optimization process reveals that dramatic influences occurred for the geometrical structure of C₃₀B₁₅N₁₅ after ammonia adsorption; the B atom relaxes outwardly and consequently the heterofullerene distorts from the spherical form in the adsorption sites. The chemical shielding (CS) tensors and nuclear quadrupole coupling constants of B and N nuclei were calculated at the B3LYP/6-311G^** level. Our calculations reveal that the B atom is chemically bonded to NH₃ molecule. The B atom in the NH₃-attached form has the largest chemical shielding isotropic (CSI) value among the other boron nuclei. The C_Q parameters of B nuclei at the interaction sites are significantly decreased after ammonia adsorption.     

Effect of substitution of K ions on the structural and electrical properties of nanocrystalline MgAl2O4 spinel oxide

Potassium substituted nanosized magnesium aluminates having a nominal composition Mg_1−xK_xAl₂O₄ where x=0.0, 0.25, 0.5, 0.75, 1.0 have been synthesized by the chemical co-precipitation method. The samples have been characterized by means of X-ray diffraction (XRD), scanning electron microscope (SEM), and dc electrical resistivity measurements. The XRD results reveal that the samples are spinel single phase cubic close packed crystalline materials. The calculated crystallite size ranges between 6 and 8 nm. The behaviour of the lattice constant seems to deviate from the Vegard's law. While X-ray density clearly increases, the bulk density and consequently, the percentage porosity do not exhibit a significant change on increasing the K⁺ content. The SEM micrographs suggest homogeneous distribution of the nanocrystallites in the samples. The dc electrical resistivity exhibits a typical semiconducting behaviour. Substitution of a Mg²⁺ ion by a K⁺ ion provides an extra hole to the system, which forms small polaron. Thermally activated hopping of these small polarons is believed to be the conduction mechanism in the Mg_1−xK_xAl₂O₄. The activation energy of hopping of small polarons has been calculated and found K⁺ ions content dependent.     

Tris(2‐aminoethyl)amine‐based ferrocene‐terminated dendrimers as burning rate catalysts for ammonium perchlorate‐based propellant decomposition

Ferrocene‐based derivatives show potential application as burning rate catalysts (BRCs) for solid composite propellants. However, migration problems of simple ferrocene‐based derivatives limit their application as BRCs in solid composite propellants. To overcome the migration problems of ferrocene‐based BRCs and to enhance the burning rate of ammonium perchlorate (AP)‐based propellants, zero‐ to second‐generation tris(2‐aminoethyl)amine‐based ferrocene‐terminated dendrimers (G0, G1 and G2) were synthesized. The structures of G0, G1 and G2 were confirmed using ¹H NMR, Fourier transform infrared and UV–visible spectroscopies. The electrochemical behavior of G0, G1 and G2 was investigated using cyclic voltammetry. It was found that G0, G1 and G2 showed redox behavior due to the presence of ferrocene and this redox behavior was diffusion controlled over the investigated scan range. The burning rate catalytic effect of G0, G1 and G2 on thermal decomposition of AP was investigated using thermogravimetry and differential thermogravimetry. G0, G1 and G2 showed good catalytic effect on the thermal decomposition of AP. Anti‐migration studies showed that migration of G0, G1 and G2 was much slower than that of 2,2‐bis(ethylferrocenyl)propane (catocene) and ferrocene.