The effective ionization coefficients and electron drift velocities in gas mixtures of CF3I with N2 and CO2 obtained from Boltzmann equation analysis

The electron swarm parameters including the density-normalized effective ionization coefficients(α-η)/N and the electron drift velocities V e are calculated for a gas mixture of CF3I with N2 and CO2 by solving the Boltzmann equation in the condition of a steady-state Townsend(SST) experiment.The overall density-reduced electric field strength is from 100 Td to 1000 Td(1 Td = 10-17V·cm2),while the CF3I content k in the gas mixture can be varied over the range from 0% to 100%.From the variation of(αη)/N with the CF3I mixture ratio k,the limiting field strength(E/N) lim for each CF3I concentration is derived.It is found that for the mixtures with 70% CF3I,the values of(E/N) lim are essentially the same as that for pure SF 6.Additionally,the global warming potential(GWP) and the liquefaction temperature of the gas mixtures are also taken into account to evaluate the possibility of application in the gas insulation of power equipment.     

Rotational spectra of gauche perfluoro-n-butane, C4F10; perfluoro-iso-butane, (CF3)3CF; and tris(trifluoromethyl)methane, (CF3)3CH

The microwave spectra of the gauche conformer of perfluoro-n-butane, n-C₄F₁₀, of perfluoro-iso-butane, (CF₃)₃CF, and of tris(trifluoromethyl)methane, (CF₃)₃CH, have been observed and assigned. The rotational and centrifugal distortion constants for gauche n-C₄F₁₀ are: A = 1058.11750(7) MHz, B = 617.6832(1) MHz, C = 552.18794(1) MHz, Δ_J = 0.0257(5) kHz, δ_J = 0.0052(3) kHz. A C-C-C-C dihedral angle, ω, of ∼55° has been determined. These values agree well with those obtained from a coupled cluster (CCSD/cc-PVTZ) calculation. The rotational and centrifugal distortion constants for iso-C₄F₁₀ and iso-C₄HF₉ are: B_o = 816.4519(4) MHz, D_J = 0.023(2) kHz, and B_o = 903.6985(25) MHz, D_J = 0.043(4) kHz, respectively. The dipole moment of iso-C₄F₁₀ and iso-C₄HF₉ have been measured and found to be 0.0338(8) and 1.69(9) D, respectively.     

FTIR spectroscopy and estimation of the global warming potential of CF3Br and C2F4

High-resolution (0.03 cm⁻¹) absolute infrared photoabsorption cross sections of bromotrifluoromethane (CF₃Br) and tetrafluoroethylene (C₂F₄) have been measured using Fourier-transformed infrared (FTIR) spectroscopy at temperatures between 213 and 296 K. The measured cross sections were subsequently used to estimate the radiative forcings and the global warming potentials of these two species.     

Optically pumped CW fir laser: New submillimeter laser emissions from CH2DOH, CH3I, CD3I, and trioxymethylene

We obtained twelve new far infrared laser transitions by optically pumping the CH₂DOH, CH₃I, CD₃I and Trioxymethylene molecules with a CW CO₂ laser having a tunability range of 280 MHz. We measured the wavelength, polarization, relative intensity and pump offset relative to the CO₂ center frequency for all the new lines.     

Measurements and theoretical calculations of N2-broadening and N2-shift coefficients in the ν2 band of CH3D

In this paper, we report measured Lorentz N₂-broadening and N₂-induced pressure-shift coefficients of CH₃D in the ν₂ fundamental band using a multispectrum fitting technique. These measurements were made by analyzing 11 laboratory absorption spectra recorded at 0.0056 cm⁻¹ resolution using the McMath-Pierce Fourier transform spectrometer located at the National Solar Observatory on Kitt Peak, Arizona. The spectra were obtained using two absorption cells with path lengths of 10.2 and 25 cm. The total sample pressures ranged from 0.98 to 402.25 Torr with CH₃D volume mixing ratios of 0.01 in nitrogen. We have been able to determine the N₂ pressure-broadening coefficients of 368 ν₂ transitions with quantum numbers as high as J″ = 20 and K = 16, where K″ = K′ ≡ K (for a parallel band). The measured N₂-broadening coefficients range from 0.0248 to 0.0742 cm⁻¹ atm⁻¹ at 296 K. All the measured pressure-shifts are negative. The reported N₂-induced pressure-shift coefficients vary from about −0.0003 to −0.0094 cm⁻¹ atm⁻¹. We have examined the dependence of the measured broadening and shift parameters on the J″, and K quantum numbers and also developed empirical expressions to describe the broadening coefficients in terms of m (m = −J″, J″, and J″ + 1 in the ^QP-, ^QQ-, and ^QR-branch, respectively) and K. On average, the empirical expressions reproduce the measured broadening coefficients to within 4.7%. The N₂-broadening and pressure-shift coefficients were calculated on the basis of a semiclassical model of interacting linear molecules performed by considering in addition to the electrostatic contributions the atom-atom Lennard-Jones potential. The theoretical results of the broadening coefficients are in good overall agreement with the experimental data (8.7%). The N₂-pressure shifts whose vibrational contribution is derived from parameters fitted in the ^QQ-branch of self-induced shifts of CH₃D, are also in reasonable agreement with the scattered experimental data (20% in most cases).     

New experimental measurements and theoretical analysis of the collision-induced absorption in N2-H2 pairs

We present new experimental data on the collision-induced fundamental absorption in N₂-H₂ mixtures at room temperature and at low enough pressures so that the binary contribution is dominant. Previous measurements have been made at pressures where the ternary and possibly higher absorption coefficients are significant, and this makes it difficult to obtain accurate values for the binary absorption enhancement coefficient. To obtain the enhancement spectrum from the measurements of the mixture, it is necessary to subtract out both the spectra of pure H₂ and N₂, along with some CO₂ impurities thus increasing the experimental uncertainty. Nevertheless, we obtain a value for the integrated intensity of 1.15×10⁻⁴ cm⁻² amagat⁻² that is in good agreement with the previous value of 1.38×10⁻⁴. We also discuss how one can scale this result to high temperatures for application to brown dwarf or methane dwarf atmospheres.     

Photodegradation of CH3I on mesoporous TiO2-B nanofibers with Au nanoparticles

Au nanoparticles deposited on mesoporous TiO₂-B nanofibers have been prepared, characterized, and used to catalyze photoreactions of iodomethane. High-density gold-particle deposition on TiO₂-B is obtained by electrostatic and/or chemical force between the particles of TiO₂-B and Au capped with -SC(H)(CO₂H)(CH₂CO₂H) through pH control. The capping groups on the gold particles can be removed after 400 °C calcination. It is found that the nature of the inorganic acids used for pH adjustment has effects on particle morphology and deposition. Two other methods, i.e., preparation of TiO₂-B nanofibers in the presence of gold particles and preparation of gold nanoparticles in the presence of TiO₂-B particles (deposition-precipitation method), are also investigated. However, the former method produces a low-density deposition and the latter one induces a morphology change of the TiO₂-B and an increase of the Au in size. Fourier transform infrared spectroscopy has been employed to study and to compare the photoreactions of CH₃I on TiO₂-B and Au/TiO₂-B and the effect of O₂. The presence of gold particles on TiO₂-B increases the efficiency of CH₃I photodegradation, forming adsorbed methoxy and formate. The role of gold is also discussed.     

Heterodyne frequency measurements of COF2, CD3F,13CD3F, and C2H5I lasers

Heterodyne frequency measurements are reported for twenty optically pumped laser lines from various molecules including COF₂, CD₃F,¹³CD₃F, and C₂H₅I.     

N2价轨道的精细电子动量谱学研究

在高分辨率（ΔE=08?eV,Δp≈01a.u.）高效率的第三代电子动量谱仪上获得了N₂价轨道的电离能谱和动量谱.通过对伴线结构的电子动量谱学（EMS）研究,得到了不同伴线结构的电子动量谱,另一方面也得到了伴线结构的强度.由伴线的电子动量分布形状判断出其跃迁的主要来源,并由实验测量的伴线结构强度确定了谱因子（极强度）的大小,通过对谱因子实验值与理论计算结果的比较检验了各种理论模型的精确度. 关键词： 氮分子 价轨道 电子动量谱 电子关联效应     

The millimeter-wave rotational spectrum of CF3CCD in the excited vibrational state v10=2

The millimetre-wave rotational spectra of the excited vibrational state v₁₀=2 of the symmetric top molecule, CF₃CCD, have been recorded for J^′′=12 up to J^′′=25. The l=±2 and l=0 series have been assigned and the spectra analysed to give rotational parameters including x_ll=7716.975 MHz. The main interactions between states of different l are the r_t(2,−1)=0.158 MHz and q_t⁺(2,2)=3.308 MHz. Two type of l-resonance are identified, one of which is due to an avoided crossing between the l=0 and l=+2 series. The spectra are qualitatively similar to the corresponding ones of CF₃CCH.     

Synthesis and CO2 capture property of high aspect-ratio Li2ZrO3 nanotubes arrays

High aspect-ratio Li₂ZrO₃ nanotubes were prepared by hydrothermal method using ZrO₂ nanotubes layers as templates. Characterizations of SEM, XRD, TEM and CO₂ adsorption were performed. The results showed that tetragonal Li₂ZrO₃ nanotubes arrays containing a little monoclinic ZrO₂ can be obtained using this simple method. The mean diameter of the nanotubes is approximately 150 nm and the corresponding specific surface area is 57.9 m² g⁻¹. Moreover, the obtained Li₂ZrO₃ nanotubes were thermally analyzed under a CO₂ flow to evaluate their CO₂ capture property. It was found that the as-prepared Li₂ZrO₃ nanotubes arrays would be an effective acceptor for CO₂ at high temperature.     

The multielectron dissociative ionization dynamics of N2 molecule in intense femtosecond laser fields with arbitrary polarization

The field-ionization Coulomb explosion model is extended to investigate the multielectron dissociative ionization process of N₂ molecule irradiated by an intense femtosecond laser field with an arbitrary polarization. The ionization process of N₂ molecule is found to be optimal at the critical internuclear distance R_c=7a.u., which is independent of the laser polarization state, the molecular explosion channel and the angle between the molecular axis and the direction of laser electric field. The kinetic energies of the ion fragments are identical in the cases of linear and circular polarizations at the same incident laser intensity. However,the probability of electron ionization is very sensitive to the above three parameters. At the critical distance R_c=7a.u. the angular dependence of the threshold intensity for the over-the-barrier ionization leads to the geometric alignment of molecules in the case of linear polarization. The threshold intensity in the case of circular polarization is apparently higher than that in the case of linear polarization, which can well explain the significant decrease of ionization in the case of circular polarization. The numerical calculations are compared with the experimental measurements.     

The improvement of Al2O3/AlGaN/GaN MISHEMT performance by N2 plasma pretreatment

This paper discusses the effect of N 2 plasma treatment before dielectric deposition on the electrical performance of a Al2O3 /AlGaN/GaN metal-insulator-semiconductor high electron mobility transistor(MISHEMT),with Al2O3 deposited by atomic layer deposition.The results indicated that the gate leakage was decreased two orders of magnitude after the Al2O3 /AlGaN interface was pretreated by N 2 plasma.Furthermore,effects of N 2 plasma pretreatment on the electrical properties of the AlGaN/Al2O3 interface were investigated by x-ray photoelectron spectroscopy measurements and the interface quality between Al2O3 and AlGaN film was improved.     

CO2 laser assisted removal of UO2 and ThO2 particulates from metal surface

Pulsed laser assisted removal of uranium dioxide and thorium dioxide particulates from stainless steel surface have been studied using a TEA CO₂ laser. Decontamination efficiency is measured as a function of laser fluence and number of pulses. Threshold fluence for the removal of UO₂ particulates has been found to be lower than that required for the removal ThO₂ particulates. Usage of a ZnSe substrate, that is transparent to the laser wavelength used here, enabled us to decouple the cleaning effect arising out of absorption in the particulates from that in the substrate and has contributed towards understanding the mechanism responsible for cleaning. The experimental observations are also corroborated by simple theoretical calculations.     

Flame structure studies of rich ethylene-oxygen-argon mixtures doped with CO2, or with NH3, or with H2O

Structures of several premixed ethylene-oxygen-argon rich flat flames burning at 50 mbar have been established by using molecular beam mass spectrometry in order to investigate the effect of CO₂, or NH₃, or H₂O addition on species concentration profiles. The aim of this study is to examine the eventual changes of profiles of detected hydrocarbon intermediates which could be considered as soot precursors (C₂H₂, C₄H₂, C₅H₄, C₅H₆, C₆H₂, C₆H₄, C₆H₆, C₇H₈, C₆H₆O, C₈H₆, C₈H₈, C₉H₈ and C₁₀H₈). The comparative study has been achieved on four flames with an equivalence ratio (f) of 2.50: one without any additive (F2.50), one with 15% of CO₂ replacing the same quantity of argon (F2.50C), one with 3.3% of NH₃ in partial replacement of argon (F2.50N) and one with 13% of H₂O in replacement of the same quantity of argon (F2.50H). The four flat flames have similar final flame temperatures (1800 K).CO₂, or NH₃, or H₂O addition to the fresh gas inlet causes a shift downstream of the flame front and thus flame inhibition. Endothermic processes CO₂ + H = CO + OH and H₂O + H = H₂ + OH are responsible of the reduction of the hydrocarbon intermediates in the CO₂ and H₂O added flames through the supplementary formation of hydroxyl radicals. It has been demonstrated that such processes begin to play at the end of the flame front and becomes more efficient in the burnt gases region.The replacement of some Ar by NH₃ is responsible only for a slight decrease of the maximum mole fraction of C₂H₂, but NH₃ becomes much more efficient for C₄H₂ and C₅ to C₁₀ species. Moreover, the efficiency of NH₃ as a reducing agent of C₅ to C₁₀ intermediates is larger than that of CO₂ and H₂O for equal quantities added.     

Chemical quenching of positronium in Fe2O3/Al2O3 catalysts

Fe₂O₃/Al₂O₃ catalysts were prepared by solid state reaction method using α-Fe₂O₃ and γ-Al₂O₃ nano powders. The microstructure and surface properties of the catalyst were studied using positron lifetime and coincidence Doppler broadening annihilation radiation measurements. The positron lifetime spectrum shows four components. The two long lifetimes τ₃ and τ₄ are attributed to positronium annihilation in two types of pores distributed inside Al₂O₃ grain and between the grains, respectively. With increasing Fe₂O₃ content from 3 wt% to 40 wt%, the lifetime τ₃ keeps nearly unchanged, while the longest lifetime τ₄ shows decrease from 96 ns to 64 ns. Its intensity decreases drastically from 24% to less than 8%. The Doppler broadening S parameter shows also a continuous decrease. Further analysis of the Doppler broadening spectra reveals a decrease in the p-Ps intensity with increasing Fe₂O₃ content, which rules out the possibility of spin-conversion of positronium. Therefore the decrease of τ₄ is most probably due to the chemical quenching reaction of positronium with Fe ions on the surface of the large pores.     

IR and FIR Spectroscopy of 13CH3I

We have investigated the ¹³CH₃I isotopomer of methyl iodide as a source of Far Infrared (FIR) laser radiation using the optical pumping technique. The molecule is pumped by using a pulsed waveguided CO₂ laser, driven by a novel all solid state power supply that lases on the 10HP band as well as the regular bands. We discovered and assigned two new FIR laser emissions and we give further spectroscopic information about polarization and pump frequency offset for five already known lines.     

Rotational spectrum and structure of asymmetric dinitrogen trioxide, N2O3

The rotational spectra of the ground vibrational state and the ν₉ = 1 torsional state have been reinvestigated and accurate spectroscopic constants have been determined. The torsional frequency, ν₉ = 70(15) cm⁻¹, has been determined by relative intensity measurements. The assignment of the infrared spectrum has been slightly revised and an accurate harmonic force field has been calculated. The equilibrium structure has been determined using different, complementary methods: experimental, semi-experimental and ab initio, leading to r(NN) = 1.870(2) Å, in particular.     

Effect of polar distortion on electronic structures of (001) LaGaO3/SrTiO3 interface

First-principles calculations of electronic structures of (001) epitaxial LaGaO₃/SrTiO₃ heterostructures were performed in the framework of density functional theory. The effects of atomic relaxation on electronic characteristics of both n-type (LaO)⁺/(TiO₂)⁰ and p-type (GaO₂)⁻/(SrO)⁰ interfaces are investigated. It is found that the n-type interface remains metallic, whereas the p-type interface becomes insulating after atomic relaxation. Polar distortion in the LaGaO₃ layers associated with the atomic relaxation strongly screens the intrinsic electric field induced by periodically stacking (LaO)⁺ and (GaO₂)⁻ charged atomic layers on SrTiO₃ with charge neutral (001) atomic layers. This relieves the trend to a polar catastrophe and reduces the carrier charge density on the interface.     

Far infrared laser frequencies of CH3OD and N2H4

The frequencies of 26 laser lines with wavelengths between 57 and 534 m have been measured in the optically pumped laser gases CH₃OD and N₂H₄. A pair of stabilized cw 12_{CO 2} lasers was used as a frequency standard for the heterodyne frequency measurements. Seven of the 26 lines are new.