Synthesis and crystal structures of two zinc(II) complexes derived from N-isopropyl-N′-[1-(2-methoxyphenyl)methylidene]ethane-1,2-diamine

Two isostructural mononuclear zinc(II) complexes, [ZnLBr₂] (I) and [ZnLI₂] (II), derived from the Schiff base N-isopropyl-N′-[1-(2-methoxyphenyl)methylidene]ethane-1,2-diamine (L), have been synthesized and characterized by elemental analysis, IR spectra, and X-ray single-crystal diffraction. The crystal of I is monoclinic: space group P2₁/n, a = 14.476(1) Å, b = 7.327(1) Å, c = 17.528(1) Å, β = 101.153(1)°, V = 1824.0(3) ų, Z = 4. The crystal of II is monoclinic: space group P2₁/n, a = 14.482(1), b = 7.329(1), c = 17.528(1)Å, β = 101.195(2)°, V = 1825.0(3)ų, Z = 4. The Zn atom in each complex is four-coordinated in a tetrahedral coordination, with one imine N and one amine N atoms of L, and two halide atoms. Both complexes and the Schiff base were tested in vitro for their antibacterial activities.     

An Exact Solution to the Two-Particle Boltzmann Equation System for Maxwell Gases

An exact solution to the two-particle Boltzmann equation system for Maxwell gases is obtained with use of Bobylev approach.The relationship between the exact solution and the self-similar solution of the boltzmann equation is also given.     

Mixed symmetry states and electromagnetic transition in the N=Z nucleus ^28Si

The interacting boson model with isospin （IBM-3） has been used to study mixed symmetry states and electromagnetic transitions at low-lying states for a ^28Si nucleus. The theoretical calculations show that the 24^＋ state is the lowest mixed symmetry state in ^28Si and the 43＋ state is also a mixed symmetry state.     

Bang-bang control suppression of amplitude damping in a three-level atom

By using quantum bang-bang control technique, we studied the suppression of amplitude damping, or energy dissipation, in a three-level atom in various configurations. We have explicitly given the bang-bang control groups in three different configurations, and the pulse sequences for these bang-bang control operations. Supported by the National Natural Science Foundation of China (Grant No. 10547003), the Key Project of Chinese Ministry of Education (Grant No. 306020) and Chifeng College Scientific Research Fund (Grant No. ZRZD200604)     

Isospin structure in 68Ge

The interacting boson model-3(IBM-3) has been used to study the low-energy level structure and electromagnetic transitions of 68Ge nucleus. The main components of the wave function for some states are also analyzed respectively. The theoretical calculations are in agreement with experimental data, and the 68Ge is in transition from U(5) to SU(3).     

采用密度泛函理论研究二甲基胺-二苯甲酮的分子内电荷转移激发态氢键

利用(含时)密度泛函理论研究了二甲基胺-二苯甲酮(DMABP)及其氢键二聚物DMABP-MeOH的光物理性质和弛豫动力学过程. 结果表明,在非极性和非质子性溶剂中,DMABP分子的第一和第二激发态跃迁同时具有局域激发和分子内电荷转移的特征;在极性质子性溶剂中,分子间氢键C=O…H-O的形成增加了这两个最低激发态之间的能量差,使DMABP-MeOH的第一激发态具有较强极性的分子内电荷转移特性. 通过计算DMABP和DMABP-MeOH分子的激发态构型弛豫势能曲线研究了激发态动力学弛豫过程. 结果表明,通过扭     

酮缺陷对中性和带电六卟啉芳香性影响的直接可视化研究

利用含时密度泛函理论研究了酮缺陷对中性和带电六卟啉芳香性的影响,并使用多维可视化技术给出了该体系基态电荷分布和电子跃迁的直观图像. 研究结果表明,芳香性是决定这类体系基态密立根电荷分布的主要因素;酮缺陷效应使得体系基态的密立根电荷分布更多地局域在六卟啉基团上,在这类体系的五氟苯基取代基上密立根电荷布居较少,同时使得体系的芳香性发生改变. 进一步,通过计算体系的跃迁密度和电荷差分密度,可视化了酮缺陷对中性和带电六卟啉芳香性的影响. 结果表明,酮缺陷加强了体系电荷转移的能力.     

Fuzzy蕴涵代数的素MP滤子

对Fuzzy蕴涵代数(简称FI代数)的滤子理论作深入研究.首先对由非空集合生成的MP滤子的性质作进一步探讨;然后引入素MP滤子的概念并讨论其基本性质,给出了素MP滤子的若干等价刻画,证明了并半格FI代数的素MP滤子定理;最后利用素MP滤子概念时满足条件(S)的并半格FI代数的MP滤子格((L)MP(X),(∩))中的素元进行刻画.     

泛逻辑学中UB代数系统的广义fuzzy滤子

将区间值fuzzy集的概念应用于理想状态(广义相关系数h=0.5,广义自相关系数k=0.5)下泛逻辑学所对应的代数系统--UB代数,引入区间值(∈,∈Vq)-fuzzy滤子和区间值(∈,∈Vq)-fuzzy关联滤子的概念并研究它们的性质.获得了UB代数的这两类广义fuzzy滤子的若干等价刻画,证明了区间值(∈,∈Vq)-fuzzy关联滤子的扩张定理.     

Isospin and mixed symmetry structure in ~(26)Mg

The isospin excitation states and electromagnetic transitions of the ²⁶Mg nucleus are studied with the isospin-dependent interacting boson model (IBM-3). The mixed symmetry states at low spin and the main components of the wave function for some states are also analyzed. The results show good agreement with the available experimental data. From the IBM-3 Hamiltonian expressed in Casimir operator form, the ²⁶Mg is also proved to be a transition nuclei from U(5) to SU(3).