The 2CH excitation band in C2H2–N2O and 2CH+torsion combination bands in C2H2–N2O and C2H2–CO2

A preliminary analysis of the 2CH excitation band in C₂H₂–N₂O in the 1.5 µm range (K. Didriche, C. Lauzin, P. Macko, M. Herman and W.J. Lafferty, Chem. Phys. Letters 469, 35 (2009).), only considering 117 low J-, and K_a - vibration-rotation lines, is significantly extended thanks to the analysis of new spectra including very regular series of lines with J/K_a up to 31/15. 1271 b-type lines were assigned. Perturbations are briefly discussed. The rotational temperature in the experiments is estimated to be 20?K and the upper state mean half-time is 1.6?ns for non perturbed levels. The previous analyses of the 2CH + torsion band in C₂H₂–N₂O and in C₂H₂–CO₂ (C. Lauzin, K. Didriche, T. Földes and M. Herman, Mol. Phys. 109, 2105 (2011).), are also extended to include 286 and 234 lines, respectively, also correcting for calibration errors. New rotational constants are obtained using a rigid rotor Hamiltonian by simultaneously fitting the ground, 2CH and 2CH + torsion states in C₂H₂–N₂O, and the latter state, only, in C₂H₂–CO₂.     

SystematicDiscrepancyoftheEnthalpiesofFormationBetweentheG2TheoreticalandtheExperimentalValuesforO＋2

Ｋｅｙｗｏｒｄｓ：ＳｙｓｔｅｍａｔｉｃＤｉｓｃｒｅｐａｎｃｙＥｎｔｈａｌｐｙＧ２ＥｘｐｅｒｉｍｅｎｔＩｎｔｒｏｄｕｃｅｄｂｙＰｏｐｌｅａｎｄｃｏ－ｗｏｒｋｅｒｓ〔１－４〕，ｔｈｅｗｅｌｋｎｏｗｎＧ２ａｂｉｎｉｔｉｏｐｒｏｃｅｄｕｒｅ，ａｓａｒｅｌｉａ...     

Вращательно-колеБат ельная энергия плоск ойX 2 Y 2 Z 2 симметричной моле кулы

Czechoslovak Journal of Physics -     

Infrared spectra of acetylene–water complexes: C2D2–H2O,C2D2–HDO,and C2D2–D2O

Infrared spectra of C₂D₂–water complexes are studied in the 4.1 μm region of the C₂D₂ ν₃ fundamental band using a tunable diode laser source to probe a pulsed supersonic slit jet. Relatively large vibrational red shifts (?27.7 to ?28.0 cm^?1) are observed which are more easily interpretable than for the analogous C₂H₂ vibration thanks to the absence of Fermi resonance effects for C₂D₂. Noticeable homogeneous line broadening leads to estimates of upper state predissociation lifetimes of about 0.5, 0.9 and 1.1 ns for C₂D₂–H₂O, –HDO, and –D₂O, respectively. Transitions involving K_a = 0 and 1 levels are observed for C₂D₂–HDO, but there is a puzzling absence of K_a = 1 for C₂D₂–H₂O and C₂D₂–D₂O.     

Fundamental and combination bands of CO2–C2H2 and CO2–C2D2 in the mid-infrared region

Spectra of the weakly bound CO₂–C₂H₂ and CO₂–C₂D₂ complexes are observed in the regions of CO₂ ν₃ (≈ 2349 cm^?1) and C₂D₂ ν₃ (≈ 2440 cm^?1) fundamental vibrations, using an infrared optical parametric oscillator to probe a pulsed supersonic slit-jet expansion. Five bands are measured and analysed: the fundamental asymmetric stretch of the C₂D₂ component, two combination bands involving the out-of-plane torsional vibrations (C₂D₂ ν₃ + torsion and CO₂ ν₃ + torsion) for CO₂–C₂D₂, and two combination bands involving an intermolecular in-plane bending vibration for CO₂–C₂H₂ and CO₂–C₂D₂. The resulting intermolecular frequencies are 61.408(1), 54.5(5), 39.9(5), and 39.961(1) cm^?1 for CO₂–C₂H₂ and CO₂–C₂D₂ in-plane vibrations, and CO₂–C₂D₂ out-of-plane torsional vibrations in CO₂ and C₂D₂ regions, respectively. This is the first experimental determination of these intermolecular vibrational frequencies.     

Kinetic Phase Transition in A2 ＋ 2B2 → 2B2A Reaction System with Particle Diffusion

A lattice gas model is presented for the A2 ＋2B2 → 2B2A reaction system with particle diffusion in two dimensions. In the model, B2 dissociates in the random dimer-filling mechanism and A2 dissociates in the end-on dimer filling mechanism. A reactive window appears and the system exhibits a continuous phase transition from a reactive state to a ＂B ＋ vacancy＂ covered state with infinitely many absorbing states. When the diffusion of particle B is considered, there are only two absorbing states. It is found that the critical behavior of the continuous phase transition changes from the directed percolation （DP） class to the pair contact process with diffusion （PCPD） class.     

Bi2Sr2CaCu2O8掺杂MgB2的磁通钉扎特性

为了研究超导材料中高温超导相颗粒的钉扎行为,在Ar气保护条件下,采用固相反应法制备了质量百分比为0,3,5和10%Bi2Sr2CaCu2O8含量的MgB2块状样品.用X射线衍射和扫描电子显微镜对样品进行了显微结构分析;用物理性能综合测试系统振动样品磁强计(最大磁场9T)测量了所有样品在不同磁场下的直流M(T)曲线,并测量了不同温度下的准静态磁化曲线,通过Bean临界态模型分析出Jc(H)曲线.随着掺杂量的增大掺杂后Tc基本不变,转变宽度略为增大;相比于未掺杂样品,掺杂量为3 wt%样品抗磁信号和临界电流密度有较大提高.显微结构分析结果表明,部分Bi2Sr2CaCu2O8分解为Cu2O和其它杂相,有部分Bi2Sr2CaCu2O8颗粒保留在样品内部,成为有效的钉扎中心.最后本文对超导体中的高温超导相颗粒的钉扎行为进行了分析.     

类锂离子2s2p2p^2S三激发态的能量和宽度

采用马鞍点变分方法和复数转动技术，计算了类锂离子２ｓ２ｐ２ｐ２Ｓ三激发共振态的能量，并运用截断变分方法得到能量改进量，以及计算了相对论效应、质量极化效应，从而获得了高精度的能量计算值。还计算了该系统的Ａｕｇｅｒ宽度，位移和辐射跃迁率。     

高稳定性Tl2Ba2CaCu2Ox薄膜DC-SQUID

与YBCO薄膜相比,Tl2Ba2CaCu2Ox薄膜具有更高的Tc和更好的抗湿性能,所以Tl2Ba2CaCu2Ox薄膜器件不仅在液氮温度下具有更好的稳定性,而且在室温下具有更长的存放寿命.我们用磁控溅射的方法分别在24°和36.8°的STO双晶衬底上外延出Tl2Ba2CaCu2Ox薄膜并制备成晶界结DC-SQUID,比较了二者由于晶界夹角不同而产生的性能差异,并给出可工作在95K的DC-SQUID干涉曲线;对工作在77K的Tl2Ba2CaCu2Ox和YBCO薄膜双晶DC-SQUID,比较了二者在噪声特性及临界电流和结电阻随温度变化等特性,并对结果作了讨论.     

Magnon-phonon coupling in antiferromagnetic FeCl2 ⋅ 2H2O

The temperature dependence of the Raman spectra of FeCl₂ 2H₂O demonstrate the existence of level crossing and repulsion between a one-magnon and a nearby phonon excitation. The magnon-phonon coupling constant derived from a two oscillator decoupling technique shows the same variation with temperature as the measured sublattice magnetization. In addition the temperature dependences of the energies and of the half-widths of the uncoupled magnon and phonon states are derived and discussed.A project of the Sonderforschungsbereich 65 Festkörperspektroskopie Darmstadt-Frankfurt, supported by the Deutsche Forschungsgemeinschaft     

类锂“洞原子”2s2s2p~2P~0和2s2p2p~2D三激发共振系列的能量、精细结构和寿命

采用多通道鞍点和鞍点复数转动方法，计算了类锂离子（Ｚ＝３—１０）２ｓ２ｓ２ｐ２Ｐ０和２ｓ２ｐ２ｐ２Ｄ三激发共振态系列的能量、精细结构和寿命．Ａｕｇｅｒ宽度由耦合主要的通道得到，相对论效应计算到一级微扰，质量极化效应计算到无穷级．     

Bi2Sr2CaCu2O8掺杂MgB2的磁通钉扎特性

为了研究超导材料中高温超导相颗粒的钉扎行为，在Ar气保护条件下，采用固相反应法制备了质量百分比为0，3，5和10％BizSr2CaCu2O8含量的MgB2块状样品．用X射线衍射和扫描电子显微镜对样品进行了显微结构分析；用物理性能综合测试系统振动样品磁强计（最大磁场9T）测量了所有样品在不同磁场下的直流M（T）曲线，并测量了不同温度下的准静态磁化曲线，通过Bean临界态模型分析出Jc（H）曲线．随着掺杂量的增大掺杂后Tc基本不变，转变宽度略为增大；相比于未掺杂样品，掺杂量为3wt％样品抗磁信号和临界电流密度有较大提高．显微结构分析结果表明，部分Bi2Sr2CaCu2O8分解为Cu2O和其它杂相，有部分Bi2Sr2CaCu2O8颗粒保留在样品内部，成为有效的钉扎中心．最后本文对超导体中的高温超导相颗粒的钉扎行为进行了分析．     

H_2O_2多点添加对Fe~(2+)/H_2O_2体系ORP影响的研究

Fenton体系中H_2O_2的添加方式直接影响着H_2O_2对·OH的消耗程度.本文采用多点投加装置,研究H_2O_2多点投加对Fe2+/H_2O_2体系氧化还原电位(Oxidation-Reduction Potential,ORP)的影响规律。研究发现,当添加点数增加时,溶液终态ORP增大。Fe~(3+)/Fe~(2+)电对是体系ORP的主要贡献物质。OH被捕捉后,体系ORP升高,可能是Fe~(3+)/Fe~(2+)的循环状态发生改变。温度升高,H_2O_2对·OH消耗增强,使得Fe~(3+)/Fe~(2+)的转化过程发生变化,溶液ORP升高。H_2O_2加入溶液的时间尺度,会影响体系ORP的增长过程及终态值,实验发现时间尺度为4 min时最佳,原因在于其它体系中Fe~(2+)不能充分转变成Fe~(3+),因而体系ORP增长较慢,稳定时体系ORP数值较低。     

Eu2+,Mn2+在BaZnP2O7中的发光及Eu2+→Mn2+能量传递

采用高温固相法合成了BaZnP2 01:Eu2 ,Mn2 荧光粉,并对其发光性质及Eu2 对Mn2 的能量传递机理进行了研究.Eu2 和Mn2 在380 am和670 nm的发射峰分别由Eu2 的5d-14f跃迁和Mn2 的4T1(4G)-6A1(6S)跃迁产生.Eu2 对Mn2 的发光有很强的敏化作用,根据Dexter电多极相互作用的能量传递概率公式,判断出BaZnP2O7中Eu2 对Mn2 的能量传递属于电偶极-电四极相互作用引起的共振能量传递.     

(NH_2CH_2COOH)_2CdCl_2晶体的拉曼光谱的研究

（ＮＨ２ＣＨ２ＣＯＯＨ）２ＣｄＣｌ２晶体的拉曼光谱的研究刘建军吴粤郑吉民扈士芬蓝国祥（南开大学天津３０００７１）ＲａｍａｎＳｐｅｃｔｒａｏｆ（ＮＨ２ＣＨ２ＣＯＯＨ）２ＣｄＣｌ２ＣｒｙｓｔａｌｓＬｉｕＪｉａｎｊｕｎ，ＷｕＹｕｅ，ＺｈｅｎｇＪｉｍｉｎ，Ｈ...     

氢同位素化合物TiH2，TiD2和TiT2的电子

根据原子分子反应静力学和群论，确定TiH2，TiD2和TjT2的基电子状态为^3A2．应用基函数6-311G^＊＊和密度泛函理论B3P86方法，全电子计算了氢同位素分子及其钛化物的能量E、定容热容Cv和熵S应用电子振动近似理论，即用单个分子TiH2，TiD2和TjT2中的电子和振动能量和熵近似代表他们处于固态时的能量和熵,计算所得到的金属钛的氢化热力学函数△Hc^0，△S^0，△G^0以及平衡压力与温度的关系，与文献符合很好，这表明电子振动近似理论的可应用性，选用金属钛作为中子靶是很正确的。     

Li2O-2B2O3熔体的物性研究

系统测量了四硼酸锂(Li2O-2B2O3)熔体的密度ρ、表面张力γ随着温度的变化规律,实验结果表明在1100K到1500K范围内Li2O-2B2O3高温熔体的密度和表面张力随着温度的升高均线性减小.通过实验数据拟合得出熔体密度与温度关系为ρ(T)=2.574-4.89×10-4T,熔点处LiO-2B2O3熔体的密度为1.992g/cm3;熔体表面张力与温度关系的拟合公式为γ=262.8-4.59×10-2T.