Complete and Nondestructive Atomic Bell‐State Analysis Assisted by Inverse Engineering

A protocol for complete and nondestructive atomic Bell‐state analysis by using inverse engineering is presented. The setups for the Bell‐state analysis contain four atoms trapped in four separated cavities, respectively. The laser pulses designed by inverse engineering help in the manipulation of the transitions of atoms in a robust manner. By using the protocol, the information for distinguishing four Bell states of two information‐carrying atoms is encoded on two auxiliary atoms. Therefore, the four Bell states can be distinguished without being destroyed by detecting the states of the two auxiliary atoms. Moreover, as shown by the numerical simulations, the protocol has high successful probabilities to distinguish four Bell states when decoherence is considered. Thus, the protocol may provide some helpful perspectives for the quantum information tasks based on Bell states.     

Factors affecting the dimerization of persistent nitrogen‐centered 1‐phenyl urazole radicals to tetrazanes

1‐Phenyl urazole radicals are persistent air‐stable nitrogen‐centered radicals that engage in an equilibrium with the corresponding N―N tetrazane dimers in solution. While the equilibrium typically weakly favors the dimer form, for some 1‐phenyl urazole radicals bearing substituents at the ortho position of the benzene ring, the equilibrium instead strongly favors the dimer form. With the recent surge of interest in the properties and potential applications of heterocyclic radicals, the factors that affect this equilibrium are important to determine. We examined the effect of the extent of ortho substitution (none, 1, or 2 substituents) on the equilibrium by experimentally using variable temperature ¹H nuclear magnetic resonance and UV‐visible spectroscopy in addition to supporting computational investigations at the (U)B3LYP/6‐311G(d,p) level of theory. We confirmed that the equilibrium generally favored the dimer in all cases. However, the equilibrium was more favorable towards dimer formation for urazole radicals substituted with 1 and 2 ortho substituents on the aromatic ring. The activation enthalpies for dissociation of singly substituted dimers were greater than that for dimers without ortho substituents, but lower than that for doubly substituted dimers. The greater preference for dimer formation for the ortho‐substituted urazole radicals is attributed to a greater enthalpic advantage for N―N bond formation. This advantage may be traced to a higher concentration of spin density on the urazole unit of the radicals and a lesser deformation energy required for N―N bond formation.     

Comparative characterization of thermal isomerization rates of 6‐phenyl‐1,5‐diazabicyclo[3.1.0]hexane at convection and microwave heating

Rate constants of thermal isomerization of 6‐phenyl‐1,5‐diazabicyclo[3.1.0]hexane into 1‐(benzyl)‐4,5‐dihydro‐1H‐pyrazole at convection and microwave heating in toluene and chlorobenzene (solvents) were determined within the temperature range 90°C to 120°С. These data were used for the calculation of activation parameters of isomerization. It is shown that microwave heating increases the rate constants at the same temperature by a factor of 2 to 2.5 as compared with those using convection heating. The reason is that the effective temperature of microwave heating exceeds that of convection heating by 6°C to 9°С in toluene and by 12°C to 20°С in chlorobenzene as solvent.     

Insights into unusual stability of 5‐membered‐ring endocyclic benzyl carbocations in aqueous solution

The acyclic o‐oxygen benzyl carbocation 1 , the 6‐membered‐ring endocyclic o‐oxygen benzyl carbocation 2 , and the 5‐membered‐ring endocyclic o‐oxygen benzyl carbocation 3 were used as model compounds to get insights into the general phenomenon for the unusual stability of the 5‐membered‐ring endocyclic benzyl carbocations in aqueous solution. The hydride‐ion affinities of 1 , 2 , and 3 in gas phase, acetonitrile, and DMSO were calculated and compared by the density functional theory method, and 3 isodesmic reactions were designed to confirm their thermodynamic stability. What we found is that the 5‐membered‐ring endocyclic o‐oxygen stabilizes the benzyl carbocation 3 less than the acyclic o‐oxygen stabilizes the benzyl carbocation 1 in gas phase because of ring strain and through‐bond induction. However, the high solvation energies of the 5‐membered‐ring endocyclic o‐oxygen benzyl carbocation 3 not only offset the destabilizing effects of ring strain and through‐bond induction but also make it even more stable than the acyclic o‐oxygen benzyl carbocation 1 in polar solvents like acetonitrile, DMSO, and water.     

Wavelet processing and digital interferometric contrast to improve reconstructions from X‐ray Gabor holograms

In this work, the application of an undecimated wavelet transformation together with digital interferometric contrast to improve the resulting reconstructions in a digital hard X‐ray Gabor holographic microscope is shown. Specifically, the starlet transform is used together with digital Zernike contrast. With this contrast, the results show that only a small set of scales from the hologram are, in effect, useful, and it is possible to enhance the details of the reconstruction.     

Computational design of tetrazolone‐based high‐energy density energetic materials: Property prediction and decomposition mechanism

The density functional theory methods are used to design a series of new highly energetic tetrazolone‐based molecules by the combination of the linked tetrazolone framework and versatile substitutes. The molecular and electronic structures, physicochemical, and energetic properties were analyzed and predicted. The decomposition mechanisms were computationally simulated, and 3 potential decomposition channels were proposed. These newly designed tetrazolone‐based compounds show high densities (up to 2.08 g/cm³) and highly positive heats of formation (407.0‐1377.9 kJ/mol) due to all right content of nitrogen and oxygen. Most of them exhibit good detonation velocity (8.31‐9.62 km/s) and detonation pressure (32.40‐43.86 GPa), and some are comparative to excellent explosive CL‐20. Results show that compounds 6 , 10 , 11 , 12 , 15 , 16 , 17 , 22 , 23 , and 24 own superior detonation performance than widely used explosive HMX and may be promising candidates of green high‐performance energetic materials.     

Reaching for [6]n SiC‐cyclacenes and [6]n SiC‐acenes: A DFT approach

Density functional theory (DFT) calculations introduced triplet ground states for [6]_n SiC‐cyclacenes and ‐acenes with alternate silabenzene rings including silicon atoms in 2 opposite edges (n = 6, 8, 10, 12). The singlet‐triplet energy gap (ΔE_(S‐T)), binding energy per atom (BE/n), and NBO calculation with very small band gap (ΔE_LUMO‐HOMO) confirmed the triplet ground states. In contrast to polyacenes, the singlet [6]_n SiC‐cyclacenes displayed more stability improvement than triplets, through n increasing. This may open the way for synthesis of larger stable [6]_n SiC‐cyclacenes. The ΔE_(S‐T), BE/n, and the strain energy through homodesmic equations indicated more stability for larger [6]_n SiC‐cyclacenes, which was more noticeable in singlet states. Cyclacenes and acenes with high conductivity and full point charge were introduced as suitable candidates for hydrogen storage.     

Two-dimensional photon counting imaging detector based on a Vernier position sensitive anode readout

A two-dimensional photon counting imaging detector based on a Vernier position sensitive anode is reported. The decode principle and design of a two-dimensional Vernier anode are introduced in detail. A photon counting imaging system was built based on a Vernier anode. The image of very weak optical radiation can be reconstructed by image processing in a period of integration time. The resolution is superior to 100 μm according to the resolution test. The detector may realize the imaging of very weak particle flow of high-energy photons, electrons and ions, so it can be used for high-energy physics, deep space exploration, spectral measurement and bio-luminescence detection.     

基于双芯光纤耦合器的梳状滤波器及其CO2激光调节

基于光纤耦合器的波长特性,分析了光纤耦合器作为梳状滤波器的光谱特性;将长度不同的双芯光纤(twin-core fiber,TCF)熔接在两根单模光纤(single mode fibors,SMF)之间,实验制得具有不同峰值波长间隔的基于双芯光纤耦合器的全光纤型梳状滤波器,其消光比可达25 dB. 首次使用CO₂激光对其进行光谱调节,调节导致光谱向长波方向漂移和消光比的变化. 这种调节是基于CO₂与光纤相互作用时的残余应力释放和熔融变形机理,使用氢载TCF可以在相同实验参数下得到更大的波长调节激光. 关键词： 双芯光纤耦合器 梳状滤波器 2激光')" href="#">CO₂激光 残余应力