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1.
《Molecular physics》2012,110(21-22):2773-2779
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 Ka - vibration-rotation lines, is significantly extended thanks to the analysis of new spectra including very regular series of lines with J/Ka 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.  相似文献   

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Infrared measurements have been made on SO2 between 450 and 602 cm−1 with a resolution of 0.005 cm−1. The B-type bands due to the bending mode transitions 010-000 and 020-010 have been assigned and analyzed for the 32S16O2 molecule. A total of 3007 transitions were measured and fit for 32S16O2 with a standard deviation of 0.0004 cm−1. Ro-vibrational constants are given that fit the current measurements and the pure rotational transitions reported in the literature.  相似文献   

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

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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 Ka = 0 and 1 levels are observed for C2D2–HDO, but there is a puzzling absence of Ka = 1 for C2D2–H2O and C2D2–D2O.  相似文献   

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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.  相似文献   

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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.  相似文献   

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The 2ν2 band of 14N 16O2 has been observed for the first time in the infrared, leading to precise energies for the Ka = 0, 1, 2 rotational levels of the (0 2 0) vibrational state. These levels have been reproduced within the experimental uncertainty using a Hamiltonian which takes into account the Coriolis interactions between (0 2 0) and (0 0 1) and between (1 0 0) and (0 0 1). In this way a precise band center ν0 = 1498.3474 ± 0.0016 cm−1 has been determined as well as improved rotational and coupling constants.  相似文献   

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Neutron diffraction study of polycrystalline HoRu2Si2, HoRh2Si2, TbRh2Si2, and TbIr2Si2 was performed in the temperature range between 4.2 and 300 K. For HoRu2Si2 the magnetic spin alignment of a linear transverse wave mode below the Néel temperature 19 K is observed. This static moment wave is propagating along the b-axis with k=(0, 0.2, 0) and is polarized in the c-axis. The root-mean-square and maximum saturation moments per Ho atom are 9.26 and 13.09μB, respectively. HoRh2Si2, TbRh2Si2 an TbIr2Si2 are simple collinear antiferromagnets of +-+- type with Néel temperatures of (27±1), (98±2) and (72±3) K, respectively. For TbRh2Si2 and TbIr2Si2 magnetic moments are localized on RE ions only and are aligned along the tetragonal axis, while for HoRh2Si2 they form an angle ø = (28±3)°.  相似文献   

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Muon spin relaxation experiments have been carried out in the paramagnetic and magnetically ordered states of URh2Si2 and CeRh2Si2. As the magnetic structure of these compounds is well known, these measurements can help to characterise their magnetic properties probed by μSR and to understand the μSR results of the heavy fermion compounds of the same crystallographic family. Our measurements show that the muons occupy two different crystallographic sites. The spectra of URh2Si2 and CeRh2Si2 in the magnetically ordered states are very different, probably reflecting their different magnetic structures. The spectra obtained on CeRh2Si2 are similar to the published spectra of the heavy fermion compound CeCu2.1 Si2. Muon spin rotation measurements on LaNi2As2 indicate that the muon is diffusing at 150 K.  相似文献   

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The CO2 TEA laser irradiation of CBr2F2 in the presence of Cl2 yielded 13C-enriched CBrClF2 and 13C-enriched CCl2F2 under selected experimental conditions. As the photolysis proceeded, the 13C concentration of CBrClF2 decreased gradually and that of CCl2F2 increased up to 90% or higher. These results can be explained by the mechanism involving the secondary 13C-selective IRMPD of the primary product CBrClF2. On the other hand, the carbon-containing product for a CCl2F2/Br2 system was only CBrClF2; the further IRMPD of which probably regenerated CBrClF2 in the presence of Br2. The decomposition probabilities of 12C- and 13C-containing molecules in both systems were measured as functions of laser line, laser fluence, and reactant pressures.  相似文献   

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正Since the discovery of superconductivity in LaFeAsO_(1-x)F_x,the high-T_c iron-based superconductors have been extensively studied from both experimental and theoretical viewpoints [1-8]. However, the mechanism of the unconventional superconductivity is still to be resolved. To  相似文献   

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Far infrared (30–430 cm?1) reflectivity measurements of Hg2Cl2 and Hg2Br2 single crystals have been performed in polarized light. The spectra, which are in agreement with group-theoretical predictions, were analyzed by the oscillator fitting procedure and Kramers-Kronig method. The results are compared with the existing data from other measurements and the large anisotropy of polar modes is briefly discussed. The polarization vectors of all long-wavelength symmetry modes were determined group-theoretically.  相似文献   

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Longitudinal and transverse magnetostrictions of polycrystalline samples of intermetallic compounds RMn2Ge2 (R=Sm or Gd) are measured in pulsed magnetic fields up to 250 kOe. It is found that linear magnetostrictive strains of about 10?3 arise in a temperature range in which the magnetic field causes a change in the magnetic state of a manganese magnetic subsystem. The results obtained are described within the model of a two-sublattice ferrimagnet with a negative exchange interaction in the manganese subsystem in terms of a strong dependence of this interaction on interatomic distances.  相似文献   

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Both pseudobinary systems exhibit large homogeneous regions of cubic and hexagonal Laves phases. Ordering tendencies on crystallographic sites between Al and the transition metals are observed in the hexagonal type.Electron transfer to the transition metals quenches their moments so that they become nonmagnetic at high Al concentrations. The peculiarities in the mechanism of magnetization which appear in rare earth dialuminides when Al is replaced by a transition metal have been studied in detail at cryogenic temperatures.The first replacement of Al results in a decrease in saturation moment. Neutron diffraction verifies the low ordered rare earth sublattice moments and reveals the ‘lost part’ as a disordered component. Considerable magnetic hardness develops in certain regions of concentration often connected with spontaneous increases in magnetization with field. All available evidence suggests the presence of unusual domain wall effects to be responsible for this effect. High remanences develop in both the hexagonal and in the cubic structures in the intermediate region. The development of disordered magnetic components is connected either with the disorder on crystallographic sites or changes in the free electron concentration.  相似文献   

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