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

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

Czechoslovak Journal of Physics -     

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.     

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.     

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.     

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     

主成分回归法同时测定Cu2+、Pb2+、Hg2+和Cd2+

研究了用双硫腙光度法结合多元线性回归技术直接分析水相中有毒重金属离子的方法.结果表明,在β-环糊精和非离子表面活性剂Triton X-100的存在下,金属离子-双硫腙配位体系具有更高的灵敏度和稳定性.使用多元线性回归技术,可以在多种干扰金属离子共存的条件下,不经萃取和化学分离直接分析4种常见的有毒重金属离子.     

Heterometallic fullerides of Fe and Cu groups with the composition K2MC60 (M=Fe+2, Fe+3, Co+2, Ni+2, Cu+1, Cu+2, Ag+1)

Heterometallic fullerides with composition K₂MC₆₀, synthesized by exchange chemical reaction of K₅C₆₀ or K₄C₆₀ with chlorides of metals Fe and Cu groups have been investigated by X-ray diffraction, magnetic resonance, Raman and Mössbauer spectroscopy. Magnetization and susceptibility measurements have also been carried out. Metal chlorides from Fe and Cu groups enable to cover the whole range of electronic configuration of metal from d⁵ to d¹⁰. Heterometallic fullerides with M=Cu⁺², Fe⁺², Fe⁺³ and Ni⁺² appeared to be superconductors with T_c=13.9–16.5 K. Ferromagnetism and superconductivity coexist in investigated fulleride K₂Fe⁺³C₆₀.     

EPR study on Mn2+-Cu2+ and Ni2+-Cu2+ mixed pairs

An EPR study at X- and Q-band frequencies has been made on mixed metal pairs Mn²⁺-Cu²⁺ and Ni²⁺-Cu²⁺ obtained by doping the dimer complex C₅H₅NO CuCl₂ · H₂O. Available experimental data have been confirmed and extended, particularly as regards the characteristic directions of the various magnetic tensors. The qualitative behaviour of the spectra and the somewhat singular values of the magnetic parameters can be well-described on the basis of a theoretical model in which a very strong “cosine” interaction between the total electronic spins is assumed. From the model some interesting new aspects emerge, concerning the relations between pairs and single-ion EPR parameters.     

Relative equilibria of D2H + and H2D+

Relative equilibria of molecules are classical trajectories corresponding to steady rotations about stationary axes during which the shape of the molecule does not change. They can be used to explain and predict features of quantum spectra at high values of the total angular momentum J in much the same way that absolute equilibria are used at low J. This paper gives a classification of the symmetry types of relative equilibria of AB₂ molecules and computes the relative equilibria bifurcation diagrams and normal mode frequencies for D₂H⁺ and H₂D⁺. These are then fed into a harmonic quantization procedure to produce a number of predictions concerning the structures of energy level clusters and their rearrangements as J increases. In particular the formation of doublet pairs is predicted for H₂D⁺ from J ≈ 26.     

High pressure effect on the chemoselectivity of catalyzed [2+2] and [2+2+2] addition reactions involving acetylenic esters

Abstract

The chemoselectivity is changed by pressure in the catalyzed addition of propynoates to norbornadiene, but is not altered in the corresponding addition to norbornene.     

Properties of Ca-doped Bi2+xSr2−xCuO6+δ

Specific-heat measurement is performed for Ca-substituted samples for Sr in Bi_2.1Sr_1.9?yCa_yCuO_6+δ. Specific heat anomaly associated with the superconducting transition is observed for the samples for y = 0.8, 0.95 and 1.0. The anomalies are consistent with the behavior of the magnetic measurement and suggest the bulk effect of the 80 K-class superconductivity.     

Stoßdissoziation von H 2 + - und D 2 + -Ionen

The angular and energy distribution of protons produced by collision-induced dissociations of H ₂ ⁺ ions with energies of 10 and 20 keV were measured in a parabola spectrograph. From these measurements the velocity distribution of the protons in the center of mass system of the H ₂ ⁺ ion can be calculated. This gives information about the type, the abundance, and the anisotropy of the processes involved. The most frequent transitions leading to dissociations are the excitation of the 2pσ_u state, the ionisation of the H ₂ ⁺ ion, the transition into the vibrational continuum, and the electron capture into the 1³ σ _u ⁺ state of the hydrogen. It is shown that the cross section for an electronic transition depends on the velocity of the ion, the distance of the nuclei in the ion, the angle between the internuclear axis and the direction of the primary ion beam, and the excitation energy of the target. The fraction of protons produced by vibrational excitation increases with increasing atomic number of the target. Concerning electronic transitions D ₂ ⁺ ions equal H ₂ ⁺ ions of the same velocity.     

Co2+ and Mn2+ ion locations in doped CsCdCl3

Summary Substitutional Co²⁺ and Mn²⁺ ions at the two different Cd sites in the compound CsCdCl₃ have been studied by using electron paramagnetic resonance. The preferential occupation, Co²⁺ in the Cd_II site, Mn²⁺ in the Cd_I site, is discussed in terms of crystallochemical symmetry arguments. Paper presented at the ?V International Conference on Ternary and Multinary Compounds?, held in Cagliari, September 14–16, 1982.