LiAl分子基态、激发态势能曲线和振动能级

利用单双激发多参考组态相互作用方法获得了LiAl分子基态X¹∑⁺及七个激发态a³∏, A¹∏, b³∑⁺, c³∑⁺, B¹∏, C¹∑⁺, d³∏的势能曲线, 通过势能曲线得到各态的平衡核间距R_e, 进而求得绝热激发能和垂直激发能.计算结果表明:c³∑⁺ 电子态是一个不稳定的排斥态, A¹∏态是一个较弱的束缚态, 其余6个电子态均为束缚态; b³∑⁺与 c³∑⁺态之间存在预解离现象; 8个电子态分别解离到两个通道, 即Li(²S)+Al(²P⁰)与Li(²P⁰)+Al(²P⁰). 接着将势能曲线拟合到Murrel-Sorbie解析势能函数形式, 据此获得各态的光谱数据:基态X¹∑⁺的平衡键长为0.2863 nm, 谐振频率为316 cm^-1, 解离能D_e为1.03 eV, 激发态a³∏, A¹∏, b³∑⁺, c³∑⁺, B¹∏, C¹∑⁺, d³∏的垂直激发能依次为0.27, 0.83, 1.18, 1.14, 1.62, 1.81, 2.00 eV; 解离能依次为1.03, 0.82, 0.26, 排斥态, 1.54, 1.10, 0.93 eV, 相应谐振频率 ω_e为339, 237, 394, 排斥态, 429, 192, 178 cm^-1. 通过求解核运动的薛定谔方程找到了J=0时 LiAl分子7个束缚电子态的振动能级和转动惯量. 关键词： LiAl 光谱常数 势能曲线 振动能级     

取代环戊二烯钛络合物光解活泼自由基的研究

本文用自旋捕捉技术与ESR相结合的方法,研究取代环戊二烯钛络合物(RC₅H₄)₂TiCl₂(R=H,CH₃,C₂H₅,C₃H₇,C₅H₁₁,C₆H₁₁)光解的活泼自由基。结果表明,光解初级过程是Ti-(RC₅H₄)π键均裂,以生成(RC₅H₄)^·和(RC₅H₄) TiCl₂。(RC₅H₄)^·可为ND捕捉,并生成两种自由基加合物,其浓度比约为1:1。     

CaMoO4：Eu3+,Bi3+,Li+红色荧光粉的共沉淀制备与表征

采用共沉淀法合成了红色荧光粉Ca_0.75MoO₄：Eu_0.25³⁺、Ca_0.75MoO₄：Eu_0.25-x³⁺,Bi_x³⁺及Ca_0.5MoO₄：Eu_0.25-2x³⁺, Bi_x³⁺,Li_0.25+x⁺,并采用X射线衍射(XRD)、拉曼光谱,扫描电镜(SEM)和荧光光谱(PL)测定分析了其结构形貌特征及发光性能。结果表明：制备的CaMoO₄：Eu³⁺,Bi³⁺,Li⁺红色荧光粉为白钨矿结构,颗粒尺寸约为0.5~1 μm。掺杂Bi³⁺的Ca_0.75MoO₄：Eu_0.25-x³⁺,Bi_x³⁺的相对发光强度明显高于未掺Bi³⁺的Ca_0.75MoO₄：Eu_0.25³⁺荧光粉。Bi³⁺离子的掺杂将吸收来的能量传递给激活离子Eu³⁺,起到了能量传递的作用。当Bi³⁺掺杂量为x=0.005时,在395 nm激发下,主发射峰在616 nm处的相对发光强度最大,但掺杂浓度过高时会出现浓度猝灭现象。另外,电荷补偿剂的掺入能够解决材料中因同晶取代引起的电荷不平衡的问题,以Li⁺作电荷补偿剂、Eu³⁺和 Bi³⁺共掺合成的Ca_0.5MoO₄：Eu³⁺_0.23,Bi_0.01³⁺,Li⁺_0.26红色荧光粉的发光性能强于Ca_0.75MoO₄：Eu_0.25³⁺、Ca_0.5MoO₄：Eu_0.25³⁺, Li_0.25⁺及Ca_0.75MoO₄：Eu_0.24³⁺,Bi_0.01³⁺。     

电池正极材料中Li+运动特性的7Li NMR研究

利用变温⁷LiNMR实验对Li-电池正极材料LiMn₂O₄和LiCoO₂中Li⁺的运动特性进行了研究,结果表明,随实验温度的提高,LiMn₂O₄的⁷LiNMR谱线窄化,表明其中Li⁺迁移能力增加,而LiCoO₂的谱线无变化.此外随温度提高,LiMn₂O₄的⁷Li的T₁变短,而LiCoO₂的T₁变长,产生这种不同变化趋势的原因在于LiMn₂O₄和LiCoO₂晶相结构的差异造成其中Li⁺迁移能力的差别,它们各自的相关时间τ_c使⁷Li核的T₁分别位于T₁-τ_c曲线极小点两侧.     

硫系非晶半导体薄膜中的超快光 Kerr效应

利用飞秒激光超外差光Kerr(OHD-OKE)技术研究了As₂S₃, As₂Se₃, GeS₂, GeSe₂, Ge₂₀As₂₅S₅₅, Ge₂₀As₂₅Se₅₅, Ge₁₀As₄₀S_{20关键词： 全光开关 硫系非晶半导体薄膜 飞秒激光超外差光Kerr(OHD-OKE) 三阶非线性}     

Sr0.6Ba0.2Ca0.2Al2O4 ∶Eu,Dy的制备与长余辉发光性能研究

采用高温固相法制备了Ca,Ba共掺的Sr_0.6Ba_0.2Ca_0.2Al₂O₄ ∶Eu²⁺_0.01, Dy³⁺_0.02和单掺Ba的Sr_0.6Ba_0.4Al₂O₄ ∶Eu²⁺_0.01, 关键词： 长余辉 铝酸锶 稀土掺杂 陷阱能级     

Sr3B2O6：Eu3+,Li+荧光粉的合成与发光性能

采用高温固相法合成Sr₃B₂O₆：Eu³⁺,Li⁺红色荧光粉,考察了激活剂Eu³⁺和电荷补偿剂Li⁺浓度对Sr₃B₂O₆：Eu³⁺,Li⁺荧光粉发光性能的影响。结果表明：适量掺杂Eu³⁺、Li⁺离子并不改变Sr₃B₂O₆的结构。当Eu³⁺掺杂量为4%、Li⁺的掺杂量为8%时,在900 ℃下灼烧2 h可以得到发光性能最佳的Sr_2.9B₂O₆：0.04Eu³⁺,0.08Li⁺红色荧光粉。以394 nm的近紫外光激发时,Sr₃B₂O₆：Eu³⁺,Li⁺荧光粉发射出红光,对应于Eu³⁺的4f-4f 跃迁,其中以614 nm附近的⁵D₀→⁷F₂跃迁发光最强,是一种有潜力用于白光LED的红色荧光粉。     

PrxLa1-xP5O14的发光理论和浓度效应

本文利用Judd-Ofelt理论求得PrP₅O₁₄晶体的振子强度参数Q₂,比较了计算和实验的振子强度,计算了³P₁,³P₀,¹D₂和¹G₄能级的电偶极和磁偶极辐射跃迁几率及¹D₂→¹G₄和³H₄→³F₄能级对间的多极矩耦合的无辐射迁移几率。讨论了¹D₂能级发射强度的浓度效应。并且,给出¹D₂能级发射强度的表达式和强度随着浓度和单位时间内激发光引起的³H₄到¹D₂跃迁的诱导跃迁几率的变化图。 关键词：     

H3BO3对BaAl2Si2O8：Eu2+蓝色荧光粉物相组成和发光特性的影响

采用化学共沉淀法一次煅烧工艺合成了BaAl₂Si₂O₈：Eu²⁺蓝色荧光粉.用X射线衍射仪、荧光分光光度计和扫描电镜测试了助熔剂H₃BO₃对BaAl₂Si₂O₈：Eu²⁺蓝色荧光粉物相结构、发光性能、形貌等的影响.研究表明：化学共沉淀法一次煅烧工艺合成的BaAl₂Si₂O₈：Eu²⁺蓝色荧光粉为单相,H₃BO₃的加入使基质结构由六方相转变成单斜相,并引起发射主峰位置和发射强度的变化;BaAl₂Si₂O₈：Eu²⁺蓝色荧光粉的发光强度随着H₃BO₃加入量的增加先增强,后减弱,当加入H₃BO₃的质量分数为1.5%时,发光强度最大;H₃BO₃的加入使合成BaAl₂Si₂O₈：Eu²⁺蓝色荧光粉的颗粒呈类球形,分布更加均匀,粒度更小. 关键词： 3BO₃')" href="#">H₃BO₃ 2Si₂O₈：Eu²⁺')" href="#">BaAl₂Si₂O₈：Eu²⁺ 发光特性 化学共沉淀法     

利用速度成像技术研究碘乙烷多光子电离解离动力学

卤代烷烃会破坏臭氧层,而碘乙烷（C₂H₅I）是卤代烷烃中重要代表物质之一.采用离子速度成像技术、飞秒激光技术和飞行时间质谱技术,探究了C₂H₅I的多光子电离解离动力学.通过分析C₂H₅I在强场作用下多光子电离解离得到的解离通道、碎片的动能、角度分布和各向异性参数等信息来研究碘乙烷离子（C₂H₅I⁺）C–I键裂解机理.根据飞行时间质谱实验,C₂H₅I在飞秒激光脉冲作用下发生多光子电离解离得到的碎片有C₂H₅⁺,I⁺,CH₂I⁺,C₂H₂⁺,C₂H₃⁺,C₂H₄⁺等.与C–I键相关的碎片为C₂H₅⁺和I⁺,解离机制分别对应于C₂H₅I⁺→C₂H₅⁺+I和C₂H₅I⁺→C₂H₅+I⁺.同时,采用离子速度成像技术研究C₂H₅I⁺的C–I键裂解产生的C₂H₅⁺和I⁺的速度影像,得出两者的速度分布和动能分布,分析结果表明C–I键裂解产生C₂H₅⁺和I⁺的过程都存在高能通道和低能通道.进一步分析解离碎片离子的角度分布发现C₂H₅⁺解离时各向异性参数接近于0,可能对应于慢速的振动预解离过程.I⁺在解离时各向异性参数较高,可能源于排斥势能面上的快速解离过程.最后采用密度泛函理论计算了C₂H₅I分子电离前后构型变化、离子态的能级强度及谐振强度,对C₂H₅I⁺的解离机制做了更进一步的分析和讨论.     

Nonstatistical structures in the excitation functions of20Ne(16O,12C)24Mg and20Ne(16O,20Ne)16O reactions

The data on the excitation functions of²⁰Ne(¹⁶O,¹²C)²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(1.37, 2⁺),²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(4.12, 4⁺+4.24, 2⁺) +²⁰Ne(¹⁶O,¹²C^*(4.44, 2⁺))²⁴Mg,²⁰Ne(¹⁶O,¹²C)²⁴Mg^*(6.01, 4⁺+6.43, 0⁺),²⁰Ne(¹⁶O,²⁰Ne)¹⁶O,²⁰Ne(¹⁶O,²⁰Ne^*(1.63, 2⁺))¹⁶O, and²⁰Ne(¹⁶O,²⁰Ne^*(4.25, 4⁺))¹⁶O reactions atθ _lab=13° fromE _c.m.=22.8 to 38.6 MeV have been subjected to a statistical analysis comprising of the calculations of the distribution of cross sections, deviation functions, cross-correlation functions, summed excitation functions, cross-channel correlation coefficients and coherence widths. The analysis confirms the existence of nonstatistical structures atE _c.m.=24.6, 27.8, 31.7 and 35.5 MeV, and identifies a new structure of the same nature atE _c.m. =25.6 MeV.     

Infrared spectroscopy of 17O- and 18O-enriched carbon dioxide in the 1700–8300 cm−1 wavenumber region

The assignment of the high resolution Fourier transform spectra of carbon dioxide enriched in ¹⁷O and ¹⁸O which were recorded in LADIR (Paris, France) with the Bruker IFS 125-HR between 1800 and 9000 cm^?1 and in USTC (Hefei, China) with the Bruker IFS 120-HR between 1700 and 9000 cm^?1 was performed. In total 239 bands of 12 isotopologues: ¹⁶O¹²C¹⁶O, ¹⁶O¹²C¹⁸O, ¹⁶O¹³C¹⁶O, ¹⁶O¹³C¹⁸O, ¹⁸O¹²C¹⁸O, ¹⁸O¹³C¹⁸O, ¹⁶O¹²C¹⁷O, ¹⁷O¹²C¹⁷O, ¹⁷O¹²C¹⁸O, ¹⁶O¹³C¹⁷O, ¹⁷O¹³C¹⁷O and ¹⁷O¹³C¹⁸O were observed. Among them, 99 bands were observed for the first time. The majority of new observed bands belong to ¹⁷OCO isotopologues. The positions of 23,003 lines were determined with the experimental uncertainty on the level of 0.001 cm^?1. The spectroscopic constants were fitted to the observed line positions for all observed bands.     

Electronic structure and fluorescence spectrum of the HeO+ cation

Quantum-mechanical calculations of the potential curves of the HeO⁺ ion are preformed which correlate with four lower dissociation limits and indicate the excimer type of the ion. The transition dipole moments of the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions are calculated. The energies and radiative lifetimes of vibrational levels are determined and structural and spectroscopic constants of the states 1²Σ^?, 2²Σ^?, 1⁴Σ^?, and 2⁴Σ^? are calculated. The fluorescence spectrum corresponding to the 2²Σ^?→1²Σ^? and 2⁴Σ^?→1⁴Σ ^? transitions is also calculated. The possibility of lasing at these transitions is discussed.     

Transition probabilities of the X1Σ+, A1Π, B1Δ, C1Σ+, and D1Π states of the AlO+ cation

ABSTRACT

This study computes the potential energy curves of the X¹Σ⁺, A¹Π, B¹Δ, C¹Σ⁺, and D¹Π states of AlO⁺ cation and the transition dipole moments between them. The orders of the rotationless radiative lifetimes are 10–100?μs for the A¹Π state, 1–1000?ms for the B¹Δ state, 10?ns for the first well and 100?ns for the second well of the C¹Σ⁺ state, and 1?μs for the D¹Π state. Emissions of the B¹Δ–A¹Π and D¹Π–C¹Σ⁺ systems are so weak that they are hardly measured via spectroscopy, the emissions of the C¹Σ⁺–X¹Σ⁺, C¹Σ⁺–A¹Π, and D¹Π–X¹Σ⁺ systems are so strong that they can be detected readily, and emissions of the A¹Π–X¹Σ⁺ and D¹Π–A¹Π systems can be observed through spectroscopy only by a significant effort. There is a strong great similarity between spontaneous emissions of the A¹Π–X¹Σ⁺ system of the AlO⁺ cation and the A²Π–X²Σ⁺ system of the AlO radical. The emissions of the A²Π–X²Σ⁺ system of the AlO radical have been measured in outer space Therefore, it is highly possible that the emissions of the A¹Π–X¹Σ⁺ system of the AlO⁺ cation can be detected in the astrophysical media.     

The evaluation of half-lives and other decay data used in nuclear astrophysics and cosmochronology

The current status of some decay data used in nuclear astrophysics and cosmochronology is presented. The half-life of ⁷⁹Se has been evaluated as 3.6(3) × 10⁵ yr. The total energy of non-neutrino radiation released in act of ³⁷Ar decay has been obtained being 2.709 (16) keV per disintegration. The recommended half-life values of the long-lived radionuclides (T _1/2 ≳ 10⁶ yr) of ²⁶Al, ⁴⁰K, ⁵³Mn, ⁶⁰Fe, ⁸⁷Rb, ⁹³Zr, ⁹⁸Tc, ¹⁰⁷Pd, ¹²⁹I, ¹³⁵Cs, ¹⁴⁶Sm, ¹⁷⁶Lu, ¹⁸²Hf, ¹⁸⁷Re, ²⁰⁵Pb, ²³²Th, ²³⁵U, ²³⁸U, ²⁴⁴Pu, and ²⁴⁷Cm are given based on the evaluations published until 2010.     

Statistical analysis of24Mg+24Mg elastic and inelastic scattering

The data on the excitation functions of²⁴Mg+²⁴Mg elastic and inelastic (²⁴Mg +²⁴Mg^*(2⁺),²⁴Mg^*(2⁺)+²⁴Mg^*(2⁺),²⁴Mg+²⁴Mg^*(4⁺),²⁴Mg^*(4⁺)+²⁴Mg^*(2⁺),²⁴Mg+²⁴Mg^*(6⁺)) scattering fromE _c.m=42 to 56 MeV have been subjected to a statistical analysis consisting of calculations of deviation function, cross-correlation function, cross-channel correlation coefficients, coherence widths, and the distribution of cross sections. On the basis of the analysis resonant structures atE _c.m=45.70, 46.65, 47.35 and 47.75 MeV have been confirmed. Two new resonant structures atE _c.m=44.55 and 50.50 MeV have been identified.     

Multipion production below 1.1 GeV by e+e− annihilation

The production of multipion events by e⁺e^? annihilation has been measured at centre of mass energies 915,990 and 1076 MeV. Both channels e⁺e^?→π⁺π^?π^o and e⁺e^?→π⁺π^?π⁺π^? have been analysed. An energy threshold effect analysed. An energy threshold effect around 919 MeV (m_ω + m_π^o) has been evidenced for the π⁺π^?π^oπ^o channel and the cross section is consistent with the quasi two-body process e⁺e^?→ωπ^o. The cross section for π⁺π^?π⁺π^? is lower by an order of magnitude and increases with the energy.     

Precision atomic mass spectrometry with applications to fundamental constants, neutrino physics, and physical chemistry

We present a summary of precision atomic mass measurements of stable isotopes carried out at Florida State University. These include the alkalis ⁶Li, ²³Na, ^39,41K, ^85,87Rb, ¹³³Cs; the rare gas isotopes ^84,86Kr and ^{129,130,132,136}Xe; ^17,18O, ¹⁹F, ²⁸Si, ³¹P, ³²S; and various isotope pairs of importance to neutrino physics, namely ^74,76Se/^74,76Ge, ¹³⁰Xe/¹³⁰Te, and ¹¹⁵In/¹¹⁵Sn. We also summarize our Penning trap measurements of the dipole moments of PH^?+? and HCO^?+?.     

Lepton charge and model of weak interactions with μ-e transitions

The gauge model of weak interactions is proposed and μ^±?e^? transitions predicted by the model are discussed. Estimates are given for μ^±→e^? transitions on hadrons like K⁺→π^?μ⁺e⁺ with Γ (K⁺→π^?μ⁺e⁺) ? 10^?11Γ(K⁺ and μ^? capture on nuclei with W(μ^?→e⁺) ? 10^?12W(μ^? → ν). Single μ^± production in e^? beams with a cross section δ ～ 10^?42?10^?41 cm² is predicted.     

Transfer reaction studies to states in 14N and 14C

States in ¹⁴N and ¹⁴C have been populated by the Li-induced reactions ¹⁰B(⁶Li, d), ¹¹B(⁶Li, t/³He), ¹¹B(⁷Li, α), ¹²C(⁶Li, α), and ¹³C(⁷Li, ⁶He/⁶Li) at E_Li = 32 and 34 MeV. Selective population of states is observed with these reactions. Angular distributions were measured for the ¹¹B(⁶Li t/³He) analog reactions. Experimental criteria are developed to allow the identification of analog states up to 18.40 and 16.45 MeV excitation in ¹⁴N and ¹⁴C, respectively.