Anion-controlled geometrically different Cu(II) ion-based coordination polymers and green synthetic route for copper nanoparticles: a combined experimental and computational insight

Abstract

The Cu(II) ion-based polymeric complexes [Cu(2,2′-bpy).(N₃)₂]_n (I), [Cu₂(2,2′-bpy)₂.(N₃)₄]_n (II), and monomeric complex [Cu(2,2′-bpy).(NO₃)₂].5H₂O (III) have been synthesized with rigid (–N₃) and aromatic (2,2′-bpy = 2,2′-bipyridyl) ligand. The rigid azide group is responsible for the formation of 1-D extended structures in complexes I and II where as in the case of complex III, a monomeric complex is formed due to lack of a bridging group like –N₃, resulting in limitation in dimensionality. The thermal stability of the 1-D complexes is comparatively higher than monomeric complex III. Hirshfeld surface analysis has also been applied to investigate other weak interactions and compared with the results from single-crystal X-ray data. Due to the presence of paramagnetic metal centers and long metal···metal distances in complexes I and II and presence of lattice water molecules in complex III, decrease in luminescence intensities have been observed. To attain further insights into the aforementioned interesting species, some chemical concepts such as highest occupied molecular orbital–lowest unoccupied molecular orbital gap, electronic chemical potential, chemical hardness, and electrophilicity index, identified as a derivative of electronic energy, have also been emphasized employing the quantum chemical calculations in the framework of the density functional theory method using the M06-2X/ 6-31G** level of study. Further, these complexes have been used to synthesize copper nanoparticles by applying a green synthetic route.     

Quantum phases for a generalized harmonic oscillator

An effective Hamiltonian for the generalized harmonic oscillator is determined by using squeezed state wavefunctions. The equations of motion over an extended phase space are determined and then solved perturbatively for a specific choice of the oscillator parameters. These results are used to calculate the dynamic and geometric phases for the generalized oscillator with this choice of parameters.      

The relativistic bound states for a new ring-shaped harmonic oscillator

In this paper a new ring-shaped harmonic oscillator for spin 1/2 particles is studied, and the corresponding eigenfunctions and eigenenergies are obtained by solving the Dirac equation with equal mixture of vector and scalar potentials. Several particular cases such as the ring-shaped non-spherical harmonic oscillator, the ring-shaped harmonic oscillator, non-spherical harmonic oscillator, and spherical harmonic oscillator are also discussed.     

A Two-Parameter Deformed N = 2 SUSY Algebra

A two-parameter deformed N = 2 SUSY algebra is constructed by using the q-deformed bosonic and fermionic Newton oscillator algebras. The Fock space representation of the (q ₁,q ₂)-deformed N = 2 SUSY algebra is analyzed. The comparison between the algebra constructed and earlier versions of deformed N = 2 SUSY algebras is also made.     

紧凑型L波段同轴相对论返波振荡器的粒子模拟

 设计了紧凑型L波段同轴相对论返波振荡器，通过粒子模拟研究了L波段同轴相对论返波振荡器相互作用的物理过程，并对器件的电磁结构进行了优化和改进。分析表明，采用同轴慢波结构可以在较低的外加磁场下实现L波段返波振荡器的微波输出，同时可以大大减小微波器件的径向尺寸。这是因为同轴慢波结构的TM01模式有类似于TEM模的性质，没有截止频率，但纵向电场不为零，电子束能够与它发生强相互作用过程。粒子模拟优化结果表明，在器件半径仅为4.0 cm，电子束能量240 keV，电子束流1.8 kA，导引磁场仅为0.75 T时，返波振荡器可以在频率1.60 GHz处获得较大功率的微波输出， 平均峰值功率达140 MW，平均峰值功率效率约为32%。     

新型高功率径向强流速调管振荡器

 提出了一种新结构的高功率径向强流速调管振荡器,该器件利用折叠式同轴谐振腔的微波场与接近空间电荷限制电流的径向电子束强烈相互作用产生高功率微波。首先对这种器件的实现机理进行了初步的分析，提出了有间隙电压情况时的径向同轴间隙的空间电荷限制电流1维近似估计模型。分析表明：对于电子束直流接近但小于直流空间限制电流的径向速调管，当有调制间隙电压时，空间限制电流要小于无调制间隙电压情况下的直流空间限制电流，径向强流电子束电流接近和超过空间电荷限制电流时会出现强烈的调制。然后用PIC程序对其特性进行了粒子模拟，在二极管输入电压500 kV、电子束电流为30 kA条件下，最终得到了峰值功率6 GW、频率1.3 GHz的微波输出。