一例含阴离子水簇的钴配合物的合成、结构及理论研究

金属配合物中的水簇研究为研究宏观意义上的水以及与蛋白质分子有关的水分子提供了有效途径。本文合成了一个含有阴离子水簇的带状超分子配合物[Co(2,2-bipy)₂(N₃)₂](N₃)_0.5Cl_0.5·2H₂O(1,2, 2-bipy=2, 2-联吡啶)。单晶结构解析表明,配合物属于三斜晶系,P-1空间群,晶胞参数为:a=0.822 54(7) nm,b=1.175 58(9) nm,c=1.237 06(10) nm,α=91.379 0(10)°,β=92.151 0(10)°,γ=108.119 0(10)°,V=1.135 27(16) nm³,由一个单核[Co(2,2-bipy)₂(N₃)₂]⁺配合物阳离子、两个非配位水分子、0.5个游离的叠氮离子和0.5个氯离子组成,叠氮离子和氯离子位置无序,占有率各为50%。两个客体水分子通过强烈的分子间氢键作用形成了环状水四聚体,且与无序的N^-₃和Cl^-通过氢键作用形成了一个[(H₂O)₄(N₃)Cl]^2- 阴离子水簇。此外,本文基于密度泛函理论(DFT)对配合物[Co(2,2-bipy)₂(N₃)₂]⁺阳离子进行了量子化学计算,分析了其单点能和原子电荷,并计算了中心金属离子的氧化态,计算结果与实验相吻合。     

Area spectrum of the three-dimensional Godel black hole

<正>The aim of this paper is to investigate the area spectrum of the three-dimensional Godel black hole by using two different methods.The result shows that the area spectrum of the black hole is△A = 8πl_p~2,which confirms the initial proposal of Bekenstein that the area spectrum is independent of black hole parameters and the spacing is 8πl_p~2.     

Quantum radiation of non-stationary Kerr－Newman－de Sitter black hole

By introducing a new tortoise coordinate transformation, we investigate the quantum thermal and non-thermal radiations of a non-stationary Kerr--Newman--de Sitter black hole. The accurate location and radiate temperature of the event horizon as well as the maximum energy of the non-thermal radiation are derived. It is shown that the radiate temperature and the maximum energy are related to not only the evaporation rate, but also the shape of the event horizon, moreover the maximum energy depends on the electromagnetic potential. Finally, we use the results to reduce the non-stationary Kerr--Newman black hole, the non-stationary Kerr black hole, the stationary Kerr--Newman--de Sitter black hole, and the static Schwarzshild black hole.     

Reissner-Nordström de Sitter黑洞的量子隧穿效应

运用Parikh的量子隧穿模型,研究了Reissner-Nordstr(o)m de Sitter黑洞的量子隧穿效应.结果表明,在能量守恒的条件下,黑洞外视界和宇宙视界处的粒子出射率与Bekenstein-Hawking熵有关,辐射谱不再是严格的纯热谱.     

Reissner-Nordstr(o)m de Sitter黑洞的量子隧穿效应

运用Parikh的量子隧穿模型,研究了Reissner-Nordstr(o)m de Sitter黑洞的量子隧穿效应.结果表明,在能量守恒的条件下,黑洞外视界和宇宙视界处的粒子出射率与Bekenstein-Hawking熵有关,辐射谱不再是严格的纯热谱.     

Charged Fermions Tunneling from a Rotating Charged Black Hole in 5-Dimensional Gauged Supergravity

Recent research shows that Hawking radiation from black hole horizon can be treated as a quantum tunneling process, and fermions tunneling method can successfully recover Hawking temperature. In this tunneling framework, choosing a set of appropriate matrices γ^μ is an important technique for fermions tunneling method. In this paper, motivated by Kerner and Man＇s fermions tunneling method of 4 dimension black holes, we further improve the analysis to investigate Hawking tunneling radiation from a rotating charged black hole in 5-dimensional gauged supergravity by constructing a set of appropriate matrices γ^μ for general covariant Dirac equation. Finally, the expected Hawking temperature of the black hole is correctly recovered, which takes the same form as that obtained by other methods. This method is universal, and can also be directly extend to the other different-type 5-dimensional charged black holes.     

高效液相色谱-串联质谱法测定医用口罩中8种全氟化合物

采用高效液相色谱-串联质谱(LC-MS/MS)技术建立了医用口罩中全氟辛酸、全氟辛烷磺酸钾、全氟十一酸、全氟十二酸、全氟辛烷磺酸胺、全氟十三酸、全氟十四酸、N-乙基全氟辛烷磺酸胺8种全氟化合物的测定方法。样品以甲醇为溶剂,超声提取,采用C₁₈(150 mm×2.1 mm, 5μm)色谱柱分离,流动相为甲醇和乙酸铵,梯度洗脱,多反应监测(MRM)模式进行分析检测,外标法定量。结果表明：8种全氟化合物的定量限(LOQ,以信噪比>10计)为0.50～1.58μg/kg,在0.5～10μg/L时标准曲线线性关系良好(r>0.9979),样品加标回收率为98.4%～102.3%,相对标准偏差为1.55%～7.44%。该方法前处理简单,回收率高,精密度好,适用于医用口罩中全氟化合物的检测。     

Spectroscopy via adiabatic covariant action for the Baados-Teitelboim-Zanelli (BTZ) black hole

Very recently, via the covariant form of the adiabatic invariant I =∮pidqi instead of I =∫pidqi , an equally spaced spectroscopy of a Schwarzschild black hole was derived. The emphasis was given to the covariant of results. In this paper, we extend that work in a spherically symmetric spacetime to the case of a rotating Baados-Teitelboim-Zanelli (BTZ) black hole. It is noteworthy that the adiabatic covariant action I =∮pidqi gives the same value for the black hole spectroscopy in different coordinates. The result shows that the area spectrum is A = 8πl2P , which confirms Bekenstein's initial proposal. And the result is consistent with that already obtained by other methods.     

一类强交错扩散的捕食模型弱解的整体存在性

考虑一类带有强交错扩散项的捕食模型解的整体存在性.借助于有限差分方法和熵不等式的相关性质及结论,证明了在高维空间上,该问题有整体存在的弱解.此外,还说明了所得的这个弱解是非负解.     

空间-时间分数阶变系数对流扩散方程微分阶数的数值反演

考虑终值数据条件下一维空间-时间分数阶变系数对流扩散方程中同时确定空间微分阶数与时间微分阶数的反问题.基于对空间-时间分数阶导数的离散,给出求解正问题的一个隐式差分格式,通过对系数矩阵谱半径的估计,证明差分格式的无条件稳定性和收敛性.联合最佳摄动量算法和同伦方法引入同伦正则化算法,应用一种单调下降的Sigmoid型传输函数作为同伦参数,对所提微分阶数反问题进行精确数据与扰动数据情形下的数值反演.结果表明同伦正则化算法对于空间-时问分数阶反常扩散的参数反演问题是有效的.