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111.
设计合成了用以检测过渡金属离子的荧光化学敏感器体系,它们是由1,8-萘二酰亚胺为荧光团,多胺衍生物为金属离子受体组成.在室温下对其光物理性质的研究中发现,在没有加入过渡金属离子时,由于体系内存在有效的光诱导电子转移过程使得荧光团的荧光被淬灭.加入过渡金属离子后,金属离子受体中的氮原子和过渡金属离子之间的配位作用阻断了光诱导电子转移过程,体系的荧光增强.不同的金属离子受体表现出了和过渡金属离子不同的配位识别能力,并且通过荧光的变化传递出受体-金属离子作用的信息. 相似文献
112.
采用密度泛函方法(B3P86)对 Fe_2分子结构进行了优化.计算结果中未观察到自旋污染,基态波函数与高态波函数并未混杂,结果表明,Fe_2中有8个未配对电子,这些电子空间分布不同和自旋平行产生的自旋极化效应,使 Fe_2能量最低.计算结果表明,Fe_2分子的基态是~9∑_g~ ,并非~7Δ_u,进而表明 Fe_2的自旋平行效应比电子自旋配对效应要强.计算得到该分子基态的二阶、三阶和四阶力常数分别为1.4115×10~(-2)aJ/nm~2、-37.1751×10~3aJ/nm~3和 98.7596×10~4aJ/nm~4;光谱数据ω_eχ_e、B_e、α_e分别为0.3522、0.0345、 0.4963×10~(-4)cm~(-1);离解能为3.5522eV,平衡键长为0.2137nm,振动频率为292.914cm~(-1);并得到了 Murrel-Sorbie 函数. 相似文献
113.
We employ a first-principles plane wave method with the
relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter
(HGH) scheme in the frame of DFT to calculate
the equilibrium lattice parameters and the thermodynamic properties of
AlB2 compound with hcp structure. The obtained lattice parameters are in
good agreement with the available experimental data and those calculated by
others. Through the quasi-harmonic Debye model, obtained successfully are
the dependences of the
normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized
primitive cell volume V/V0 on pressure P, the variation of the thermal
expansion α with pressure P and temperature T, as well as the Debye
temperature \ThetaD and the heat capacity CV on pressure P and
temperature T. 相似文献
114.
Rajiv Manohar G. Tripathi A.K. Srivastava A.K. Prajapati 《Journal of Physics and Chemistry of Solids》2006,67(11):2300-2304
Dielectric properties of polymer-liquid crystal mixture, having constituent polymer, poly-butyl methacrylate (PBMA) and liquid crystal, cholesteryl nonanoate, are reported as a function of frequency and temperature. The measurement has been done in a temperature range of 300-375 K and frequency range of 100 Hz-10 MHz. The dielectric permittivity and dielectric loss shows significant changes with the addition of polymer molecules in liquid crystal. The significant feature of composite formation is that the pure liquid crystal and polymer do not show dielectric relaxation in the frequency range covered, while the composite shows relaxation peak at a particular frequency. The optical transmittance of pure liquid crystal and composite has also been measured and compared. 相似文献
115.
《Electroanalysis》2006,18(6):595-604
The following two numerical models have been applied to zinc cations electroreduction in 1 M NaClO4 water solution: a classical EE model describing the concentration of involved species in solution (semi infinitive diffusion region), an extended EE model describing both: the concentration of involved species in solution and the concentration of metallic zinc inside mercury drop (in limited area of diffusion). In the latter model the inner part of mercury drop and surrounding solution were treated as dynamic interrelated system. Both models were applied to experimental cyclic voltammetric CV data in 1 M NaClO4, the results compared and discussed. The concentration profiles of all species including metallic zinc inside mercury drop were performed. The presented integrated model is essential for theoretical and analytical aspects of the electrochemistry of mercury soluble metal cations and amalgams. 相似文献
116.
117.
M. V. Kartikeyan G. Singh E. Borie B. Piosczyk M. Thumm 《International Journal of Infrared and Millimeter Waves》2006,27(5):657-670
The feasibility of an 84 GHz, 500 kW, CW gyrotron for ECRH on an experimental tokamak will be presented in this paper. Mode
competition and mode selection procedures are carefully investigated by considering various candidate modes and the TE10,4 mode is chosen as the operating mode. A conventional cylindrical cavity resonator with weak input and output tapers and parabolic
roundings is considered for interaction studies. Self-consistent, both single mode and time-dependent, calculations are carried
out and power and efficiencies are computed for a typical set of beam parameters. The results show that an output power of
well over 500 kW, CW and efficiency around 40% can be reached without a depressed collector. 相似文献
118.
119.
Knut Smoczyk 《Mathematische Zeitschrift》2002,240(4):849-883
We prove that symplectic maps between Riemann surfaces L, M of constant, nonpositive and equal curvature converge to minimal symplectic maps, if the Lagrangian angle for the corresponding Lagrangian submanifold in the cross product space satisfies . If one considers a 4-dimensional K?hler-Einstein manifold of nonpositive scalar curvature that admits two complex structures J, K which commute and assumes that is a compact oriented Lagrangian submanifold w.r.t. J such that the K?hler form w.r.t.K restricted to L is positive and , then L converges under the mean curvature flow to a minimal Lagrangian submanifold which is calibrated w.r.t. .
Received: 11 April 2001 / Published online: 29 April 2002 相似文献
120.
Let A be a symmetric matrix of size n×n with entries in some (commutative) field K. We study the possibility of decomposing A into two blocks by conjugation by an orthogonal matrix T∈Matn(K). We say that A is absolutely indecomposable if it is indecomposable over every extension of the base field. If K is formally real then every symmetric matrix A diagonalizes orthogonally over the real closure of K. Assume that K is a not formally real and of level s. We prove that in Matn(K) there exist symmetric, absolutely indecomposable matrices iff n is congruent to 0, 1 or −1 modulo 2s. 相似文献