Measurement of hyperfine structure and isotope shifts in the 580.56nm line of 142－145,146,148,150Nd+

Isotope shifts and hyperfine spectrum of singly ionized neodymium ion was measured by collinear fast-ion-beam laser spectroscopy. The hyperfine A constants and B constants are obtained for the (23230)9/2^0 level and 4f^45d ^6K9/2 level, respectively. The optical isotope shifts between seven isotopes in the 580.56 nm of^142-145,146,148,150Nd^ line are determined. The configuration admixtures for (23230)9/2^0 level were quantitatively analysed to be 4f^46p, 4f^35d^2, and 4f^35d6p with mixing coefficients of 67%, 5%, and 28%, respectively.     

141Pr+波长56908 nm谱线超精细结构测量

利用共线快离子束-激光高分辨光谱学测量了141Pr+波长为56908nm谱线的超精细结构光谱，由此得到超精细相互作用常数和参与跃迁激发态、亚稳态能级的超精细能级分裂-与已有的数据比较，在实验误差范围内一致，但测量精度提高了一个数量级- 关键词： 超精细结构 快离子束-激光光谱学 磁偶极矩和电四极矩超精细作用常数     

Hyperfine structure of singly ionized lanthanum and praseodymium

Hyperfine structure spectra of singly ionized lanthanum and praseodymium have been measured by collinear fast-ion-beam laser spectroscopy. All the spectral lines were resolved and the magnetic dipole and electric quadruple coupling constants of the metastable levels and excited levels were determined. Our results are in agreement with the published data within the experimental uncertainty. For praseodymium ions, the accuracy of the magnetic dipole coupling constants are improved by one order of magnitude compared with other published data, and the electric quadruple coupling constants are reported for the first time.     

铥原子收敛于4f13(2F7/2o)6s(7/2,1/2)4o和4f13(2F7/2o)6s(7/2,1/2)3o偶宇称里德伯系列能级的电子关联效应

本文在多通道量子亏损理论框架下,利用相对论多通道理论,计算了铥原子收敛于4f¹³（²F_7/2^o）6s（7/2,1/2）₄^o和4f¹³（²F_7/2^o）6s（7/2,1/2）₃^o的三个偶宇称里德伯系列.通过将计算结果与美国国家标准与技术研究院数据进行比较,展示了两种类型的电子关联效应：1）里德伯系列之间的相互作用,导致里德伯系列的能级出现整体偏移;2）一个孤立的干扰态镶嵌在一个里德伯系列中,破坏了该里德伯系列能级的规则性.     

~(39)K_2分子C~1Ⅱ_u-X~1∑_9~+(J′=105)Q支激光诱导荧光光谱及电偶极跃迁矩变化率研究

用4415.6(?)CW激光线获得了~(39)K_2分子C~1II_u(v′=0,J′=105)-X~1∑_g~+(v″=1～10,J″=105)Q支激光诱导荧光(LIF)光谱.用最小二乘法拟合出了~(39)K_2分子X~1∑_g~+态振动常数和C~1II_u态电子谱项值T_e.光谱分析表明C~1II_u态T_e=22968cm~(-1)是合适的.用~(39)K_2分子Morse势计算了(V′=0,J′=105)-(v″=1～10,J″=105)跃迁的Franck-Condon因子和跃迁强度,强度计算值和激光诱导荧光光谱测量值之间有令人满意的符合,进一步的r重心近似分析给出了~(39)K_2分子C~1II_u→X~1∑_g~+电偶极跃迁矩R_(?)随核间距r的归一化变化率为-0.157～-0.168 debye/(?)(4.22(?)相似文献   

Relative intensities of the rotational lines of the (0, 0) and (0, 1) bands of the B2Σ+u-X2Σ+g systems of N+2

A high resolution grating spectrometer and a hollow-cathode lamp were used to study the relative intensities for lines of the transition B²Σ⁺_u→X²Σ⁺_g of the ion N⁺₂. Mulliken's formulae are obeyed with a precision of better than 2% for N^′?30, except for the first two lines, for which the relative intensities of the P lines are 2.5% greater than Mulliken's values and the relative intensities of the R lines 2.5% lower. The differences in the positions of the doublets for the first lines increase linearly (γ′?γ″=0.015±0.002cm^-1 with γ″≈0.010cm^-1) for N′?10. An interpretation of this difference gives an order of magnitude for the perturbation parameters of the state A²Π_u(v′=10)(ξ≈9cm^-1, η≈0.06cm^-1). The effect of this perturbation on the line intensities is negligible for N′?30.     

Ti+(CO2)2Ar和Ti+(CO2)n(n=3-7)络合物离子的红外光解离光谱 (cited: 1)

利用脉冲激光溅射-超声分子束载带方法制备了气相Ti⁺(CO₂)₂Ar和Ti⁺(CO₂)_n(n=3-7)络合物离子．采用红外光解离光谱研究了这些选定的质量离子的振动光谱． 对于每一种络合物离子, 在CO伸缩振动频率范围都观察到了振动峰,表明这些离子具有插入的OTi⁺CO(CO₂)_n-1结构． 对于n≦5的OTi⁺CO(CO₂)_n-1离子,其CO振动和CO₂的反对称伸缩振动频率都比自由的CO和CO₂的频率要高,表明CO和CO₂配体与中心金属离子之间主要是静电相互作用．实验结果还表明TiO⁺可以直接络合五个配体(1个CO和4个CO₂分子)．对于n=2络合物体系,除了插入的OTi⁺CO(CO₂)结构以外,还观察到了具有弯曲结构的OCO-Ti⁺-OCO异构体的存在     

Ab initio calculation on accurate analytic potential energy functions and harmonic frequencies of c^3∑g^＋ and B^1-Пu states of dimer 7Li2

The comparison between single-point energy scanning （SPES） and geometry optimization （OPT） in determining the equilibrium geometries of c^3∑g^＋ and B^1-Пu states of dimer 7Li2 is made at numerous basis sets by using a symmetryadapted-cluster configuration-interaztion （SAC-CI） method in the Gaussian 03 program package. In this paper the difference of the equilibrium geometries obtained by SPES and by OPT is reported. The results obtained by SPES are found to be more reasonable than those obtained by OPT in full active space at the present SAC-CI level of theory. And the conclusion is attained that the cc-PVTZ is a most suitable basis set for these states. The calculated dissociation energies and equilibrium geometries are 0.8818 eV and 0.3090 nm for c^3∑g^＋ state, and 0.3668 eV and 0.2932 nm for B^1-Пu state respectively. The potential energy curves are calculated over a wide internuclear distance range from about 2.5α0 to 37α0 and have a least-squares fit into the Murrell-Sorbie function. According to the calculated analytic potential energy functions, the harmonic frequencies （We） and other spectroscopic data （ωeXe, Be and αe） are calculated. Comparison of the theoretical determinations at present work with the experiments and other theories clearly shows that the present work is the most complete effort and thus represents an improvement over previous theoretical results.     

EuCl3.6H2O中Eu^3＋的^5D0—^7F0跃迁的“反常”温度效应及其跃迁机制研究

研究了ＥｕＣｌ３．６Ｈ２Ｏ的Ｅｕ＾３＋的＾５Ｄ０－＾６Ｆ０“禁戒”跃迁的机制有其“反常”温度效应。通过比较没温度下荧光光谱中＾５Ｄ０－＾６跃迁和＾５Ｄ０－＾７Ｆ０跃迁第一条谱线的强度比，发现由于晶格振动，＾７Ｆ２态通过四个频率为２４５ｃｍ－１的声子与＾７Ｆ０态耦合，使＾７Ｆ０态成为混合态，因而使＾５Ｄ０－＾７Ｆ－的跃迁成为可能，并且其振子强度随温度的变化而变化。     

Li2分子自旋一致激发态a3Σ+u和b3Πu的分析势能函数的从头算

使用对称性匹配簇-组态相互作用方法首次计算了Li₂分子自旋一致激发态a³Σ⁺_u和b³Π_u的离解能、平衡几何及其谐振频率。使用最小二乘法、利用Murrell-Sorbie函数形式拟合出了Li₂分子三重态的第一激发态a³Σ⁺_u 和第二激发态b³Π_u的完整势能函数，并计算了这两个态的光谱常数 (B_e, α_e, ω_e 和 ω_eχ_e) 和力常数 (f₂, f₃和f₄)。得到了Murrell-Sorbie函数形式既适用于基态、又适用于激发态的结论。将计算得到的激发态（a³Σ⁺_u和b³Π_u）的离解能、平衡几何及其谐振频率与实验结果及其它理论计算结果进行了比较。从比较的结果中可以清楚地看出，本文的计算结果在计算精度方面有很大的改进。     

钬铥双掺钨酸镱钾激光晶体光谱参数计算

采用顶部籽晶提拉法（TSSG）生长了钬铥双掺钨酸镱钾（KHo_0.04Tm_0.06Yb_0.9（WO₄）₂）激光晶体。测试了该晶体的吸收及荧光光谱,计算了其光谱参数。实验结果表明：该晶体在890~1 000 nm范围吸收带较宽,半峰宽为90 nm,计算了主峰1 000 nm处吸收截面为16.92×10^-20 cm²;Tm³⁺在1 690~1 812 nm范围存在较宽的吸收带,半峰宽为118 nm,易于实现Yb→Ho、Yb→Tm、Tm→Ho的能量传递。根据Judd-Ofelt理论,计算了该晶体的光谱强度参数。根据Tm³⁺、Ho³⁺、Yb³⁺离子能级图,讨论了产生1 750~2 200 nm荧光发射的3种能量传递方式。最后计算了主峰2 030 nm处受激发射截面为3.47×10^-20 cm²,表明该晶体可作为2 μm波段优异的激光增益介质。     

Phase transition of [(C6H5)3PCH3]+(TCNQ)-2 and electrical transport properties

The electrical conductivity at 10GHz, the dielectric constant, and the thermoelectric power (TEP) of [(C₆H₅)₃PCH₃]⁺(TCNQ)^-₂, from 230 up to 400 K, have been measured. This organic quasi-one-dimensional solid undergoes a first order phase transition at 314 K. At the transition the conductivity increases by a factor of 2.2 and the activation energy drops to 0.26 from 0.31 eV. At 314 K TEP decreases abruptly from -75 to -60μVK^-1 and remains almost constant for T > 314 K. The dielectric permeability ?₀ is constant and equal to 5 in the low temperature phase, increases abruptly by 7% at the transition, and then depends strongly on temperature in the high temperature phase. Results of the high temperature phase are interpreted in terms of a strongly correlated salt.     

Rotational cooling efficiency upon molecular ionization: the case of Li2(a3Σu+) and Li2+(X2Σg+) interacting with 4He

The low-temperature (up to about 100 K) collisional (de)excitation cross sections are computed using the full coupled-channel (CC) quantum dynamics for both Li₂ and Li₂ ⁺ molecular targets in collision with ⁴He. The interaction forces are obtained from fairly accurate ab initio calculations and the corresponding pseudo-rates are also computed. The results show surprising similarities between sizes of inelastic flux distributions within final states in both systems and the findings are connected with the structural change in the molecular rotor features when the neutral species is replaced by its ionic counterpart.     

双离子(40Ar+, C2H+6)辐照合成金刚石纳米晶颗粒

用双离子(⁴⁰Ar⁺，C₂H⁺₆)辐照实验完成了从多壁碳纳米管向金刚石纳米晶颗粒的转变.对转变机理进行了初步探讨.这一探索有望能成为一种金刚石纳米晶合成的新途径.由此可知，多重荷能离子辐照用于其他材料纳米结构的制备也不是凭空设想. 关键词： 金刚石纳米晶 离子辐照 透射电子显微镜     

[Co(CO2)n]+团簇的红外解离光谱实验和理论研究

本文利用红外光解离光谱研究了一价钴阳离子与二氧化碳之间的相互作用. 通过密度泛函理论计算得到[Co(CO₂)_n]⁺团簇的几何结构,并且模拟了它们的振动光谱与实验数值进行比较. 研究结果表明,在[Co(CO₂)_n]⁺(n=2∽6)团簇中,钴阳离子通过电四极矩静电作用以端点结合的方式与二氧化碳中的氧原子结合在一起. 团簇的红外光谱都集中在二氧化碳反对称伸缩的波数附近,并且随着团簇尺寸的变化出现蓝移,最后把[Co(CO₂)_n]⁺的红外光解离光谱与稀有气体贴附的[Co(CO₂)_n]⁺-Ar的红外光解离光谱进行了比较.     

On the 5D0→7F0 transition of the Eu3+ ion in the {(C4H9)4N}3Y(NCS)6 host

In this article we apply a model, based on the combined effect of a polarizable chemical environment (the Pseudo-Multipolar Field) and the mixing between J-levels, to study the ⁵D₀→⁷F₀ intensity of the Eu³⁺ ion in the {(C₄H₉)₄N}₃Y(NCS)₆ host. Good agreement is found between theory and experiment. The results are discussed.     

Analytical potential energy function for the electronic states 2^∏1/2 and 2^∏3/2 of O^x2 （x=＋1, -1）

The splitting of potential energy levels for ground state X^2∏g of O^x2 （x = ＋1,-1） under spin-orbit coupling （SOC） has been calculated by using the spin-orbit （SO） multi-configuration quasi-degenerate perturbation theory （SO-MCQDPT）. Their Murrell-Sorbie （M S） potential functions are gained, and then the spectroscopic constants for electronic states 2^∏1/2 and 2^∏3/2 are derived from the M S function. The vertical excitation energies for O^x2 （x = ＋1,-1） are v[O2＋1^（2∏3/2→X^2∏1/2）] =195.652cm^-1, and v[O2^-1（2^∏1/2 →X^2∏3/2）] =182.568cm^-1, respectively. All the spectroscopic data for electronic states 2^∏1/2 and 2^∏3/2 are given for the first time.     

(1-x)Sr_3Sn_2O_7+xCa_3Mn_2O_7陶瓷合成及其光电性能

为了寻求新的非常规多铁性材料,采用固相合成方法制备具有Ruddlesden-Popper结构的(1-x)Sr_3Sn_2O_7+x Ca_3Mn_2O_7(SSO+CMO)(x=0,0.05,0.10,0.15,0.20)系列陶瓷.通过X射线衍射、紫外可见光谱和磁性测量,发现SSO+CMO陶瓷为单一正交相结构,空间群为A21am.随着掺杂量x的增加,样品的晶胞参数和体积相应地减小;在室温不同频率下,样品的介电常数和介电损耗随着频率增加而减小,且在x=0.1时有弱的铁磁性.     

Excitation cross sections of thulium atom transitions terminating at 4f13(2Fo)6s6p(3Po (7/2, J2) levels with J2 = 0, 1

The excitation of odd levels of the thulium atom, spontaneous transitions from which terminate at the 4f ¹³(² F ^o)6s6p(³ P ^o) (7/2, J ₂) levels with J ₂ = 0, 1, is studied by the method of extended crossing beams. Fifty four excitation cross sections are measured at an excitation electron energy of 50 eV. Seven optical excitation functions are recorded in the electron energy range of 0–200 eV.