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31.
32.
33.
用密度泛函B3LYP/6-311++G(d,p)方法和相对论有效实势(Lanl2dz基组)对VOn±(n=0,1,2)分子离子的势能函数及光谱常数进行了分析. 结果表明它们都能稳定存在, 其基态电子状态分别是:4Σ(VO2-), 3Σ(VO-), 4Σ(VO), 3Σ(VO+)和2Σ(VO2+). 其中VO2-和VO2+的势能函数曲线呈“火山口”型, 属于亚稳态分子离子. 用七参数Murell-Sorbie势拟合VO2-和VO2+分子亚稳态双原子分子离子势能函数, 发现其拟合曲线与势能函数曲线符合得很好. 同时,讨论了电荷对势能函数和能级的影响.
关键词:
分子离子
密度泛函理论
势能函数
能级 相似文献
34.
Calcium lanthanide oxyborate doped with rare-earth ions LnCa4O(BO3)3:RE3+ (LnCOB:RE, Ln=Y, La, Gd, RE=Eu, Tb, Dy, Ce) was synthesized by the method of solid-state reaction at high temperature. Their fluorescent spectra were measured from vacuum ultraviolet (VUV) to visible region at room temperature. Their excitation spectra all have a broadband center at about 188 nm, which is ascribed to host absorption. Using Dorenbos’ and Jφrgensen's work [P. Dorenbos, J. Lumin. 91 (2000) 91, R. Resfeld, C.K. Jφrgensen, Lasers and Excite States of Rare Earth [M], Springer, Berlin, 1977, p. 45], the position of the lowest 5d levels E(Ln,A) and charge transfer band Ect were calculated and compared with their excitation spectra.Eu3+ and Tb3+ ions doped into LnCOB show efficient luminescence under VUV and UV irradiation. In this system, Ce3+ ions do not show efficient luminescence and quench the luminescence of Tb3+ ions when Tb3+ and Ce3+ ions are co-doped into LnCOB. GdCOB doped with Dy3+ shows yellowish white light under irradiation of 254 nm light for the reason that Gd3+ ions transfer the energy from itself to Dy3+. Because of the existence of Gd3+, the samples of GdCOB:RE3+ show higher excitation efficiency than LaCOB:RE3+ and YCOB:RE3+, around 188 nm, which indicates that the Gd3+ ions have an effect on the host absorption and can transfer the excitation energy to the luminescent center such as Tb3+, Dy3+ and Eu3+. 相似文献
35.
Eu3+掺杂硼酸盐玻璃的光谱性质研究 总被引:1,自引:0,他引:1
测试了不同浓度掺杂下Eu^3+离子在硼酸盐玻璃的吸收光谱、激发光谱与发射光谱,根据荧光光谱计算了各样品的强度参数力2与/24,分析了Eu^3+离子掺杂浓度对其发光强度的影响.研究结果表明:在Eu^3+离子高掺杂浓度时,会发生浓度猝灭效应,但由于Eu^3+激活离子之间能量传递几率很小,使得Eu^3+离子猝灭浓度较高。 相似文献
36.
本文介绍了兰州重离子加速器(HIRFL)的注入器(SFC)所用PIG离子源的研制和改进工作,使用新研制的PIG源,已在注人器SFC上获得了5μA的O_(16)~(5+)及10μA的C_(16)~(4+)的离子束。 相似文献
37.
Shoaib Ahmad 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,18(3):309-318
The mechanisms and processes of the formation of the regenerative soot in a graphite hollow cathode discharge that produces
and emits carbon clusters are presented. Mass spectrometry with a specially designed E×B velocity filter analyzes the entire range of the charged clusters from C
1 to ∼C
4300. The state of the carbon vapour within the source is evaluated by using the characteristic line emissions from the carbonaceous
discharge whose formative mechanisms depend upon the kinetic and potential sputtering of the sooted cathode. The carbonaceous
discharge generates atomic and ionic C and its clusters C
m (m≥ 2), noble gas metastable atoms and ions, energetic electrons and photons in the cavity of the graphite hollow cathode. The
parameters of soot formation and its recycling depend critically on the discharge parameters, the geometry of the hollow cathode
and 3D profile of the cusp magnetic field contours.
Received 2nd July 2001 and Received in final form 10 September 2001 相似文献
38.
本文用多组态HXR自洽场方法和优化以Slater径向积分法相结计算了类锂离子(Z=13~17,19)1s~2nl~2LJ(2≤n≤5,0≤l≤4)能级之间的跃迁波长和振子强度,并和实验进行了比较。就软X射线激光跃迁4f—3d而言,本文计算的波长值比其它文献的计算值更接近于观测值。 相似文献
39.
IR and Raman spectra of (NH4)3ZnCl5 have been recorded. The observed spectra have been analysed on the basis of the vibrations of ZnCl
4
2−
and NH
4
+
ions. The appearance of multiple Raman bands indicates the presence of two different types of ammonium ions. The effect of
anisotropic crystalline field over the ZnCl4 and NH4 tetrahedra is also discussed. The assignment of internal modes has been verified by the potential energy distribution calculations. 相似文献
40.
M. Froese C. Champagne J. R. Crespo López-Urrutia S. Epp G. Gwinner A. Lapierre J. Pfister G. Sikler J. Ullrich J. Dilling 《Hyperfine Interactions》2006,173(1-3):85-92
The precision of atomic mass measurements in a Penning trap is directly proportional to the charge state q of the ion and,
hence, can be increased by using highly charged ions (HCI). For this reason, charge breeding with an electron beam ion trap
(EBIT) is employed at TRIUMF’s Ion Trap for Atomic and Nuclear science (TITAN) on-line facility in Vancouver, Canada. By bombarding
the injected and trapped singly charged ions with an intense beam of electrons, the charge state of the ions is rapidly increased
inside the EBIT. To be compatible with the on-line requirements of short-lived isotopes, very high electron beam current densities
are needed. The TITAN EBIT includes a 6 Tesla superconducting magnet and is designed to have electron beam currents and energies
of up to 5 A and 60 keV, respectively. Once operational at full capacity, most species can be bred into a He-like configuration
within tens of ms. Subsequently, the HCI are extracted, pass a Wien filter to reduce isobaric contamination, are cooled, and
injected into a precision Penning trap for mass measurement. We will present the first results and current status of the TITAN
EBIT, which has recently been moved to TRIUMF after assembly and commissioning at the Max-Planck-Institute (MPI) for Nuclear
Physics in Heidelberg, Germany. 相似文献