Uniaxial stress measurements on Rb2PbCu(NO2)6 and K2PbCu(NO2)6

EPR measurements on crystals of compressed tetragonal Rb₂PbCu(NO₂)₆ and K₂PbCu(NO₂)₆ subjected to uniaxial stress have been carried out at various temperatures. The results indicate that uniaxial stress can reorient the crystal axes in both compounds and that smaller stresses are required for Rb₂PbCu(NO₂)₆ than for K₂PbCu(NO₂)₆ at comparable temperatures. Larger stresses are required at lower temperatures.     

Microwave-optical double resonance in NO2

A series of experiments performed to establish the nature of the previously reported microwave optical double resonance signals in electronically excited nitrogen dioxide are reported. The DC stark effect, hyperfine spectrum, and microwave saturation behavior of the double resonance signals observed by exciting NO₂ with the 4880 Å line of an argon ion laser have been studied. The data presented support the assignment of this double resonance signal as occurring within the rovibronic manifold of the ²B₂ electronic state. The observation of a number of new excited state microwave transitions is also reported.     

B12N12纳米笼：潜在的二氧化氮检测传感器

利用密度泛函理论通过计算吸附能量、HOMO/LUMO能隙变化、电荷转移、结构扭曲等研究二氧化氮分子在B12N12纳米笼的吸附．此外,通过计算B₁₂N₁₂的电子结合能、Gibbs自由能、态密度和分子表面的静电势研究其稳定性和其它特性．B₁₂N₁₂纳米笼吸附二氧化氮显示三种构型．B₁₂N₁₂团簇的HOMO/LUMO能隙变化对二氧化氮分子的存在非常敏感,从自由团簇的6.84 eV降为NO₂/团簇稳定团簇的3.23 eV．团簇的导电性被极大地提高,表明B₁₂N₁₂纳米簇可能是潜在的二氧化氮气体分子检测传感器.     

Brillouin spectroscopy in K2Ba(NO2)4

The temperature dependence of elastic stiffnesses of K₂Ba(NO₂)₄ is investigated in the range - 140 to + 160°C, in which two phase transitions have been reported. Marked anomalies appear at the lower transition, in contrast with continuous variations through the upper transition. Results are compared to those obtained near the upper transition by an ultrasonic method and they are qualitatively discussed.     

Effect of γ-Al2O3 substrate on NO2 interaction with supported BaO clusters

BaO oxide is the main storage component of the NO_x storage and reduction catalysts. Herein, the interactions between the NO₂ molecule and the unsupported as well as γ-Al₂O₃ supported BaO clusters have been studied using the first principle density functional theory calculation. Our results indicated that there is a strong synergetic effect involving both the BaO clusters and the surface of the γ-Al₂O₃ substrate toward NO₂ adsorption. The interfacial region between the monodispersed BaO cluster and the substrate surface that allows NO₂ to bond with the cluster and the surface simultaneously was shown to be optimal for NO₂ adsorption.     

Opto-galvanic spectroscopy of some molecules in discharges: NH2, NO2, H2 and N2

The change of the discharge voltage when laser light crossing the discharge is tuned to a molecular transition has been measured. Experiments have been performed in the wavelength region between 570 nm and 620 nm with discharges in NH₃, NO₂, H₂, N₂, O₂ and argon. Transitions from the ground states of NH₂ and NO₂ and transitions from metastable states of N₂ and H₂ have been detected. The spacial dependence of the opto galvanic in a low pressure dc-discharge of H₂ and N₂ has been studied.     

Triple quantum MQMAS spectroscopy of (I=7/2) in Na3Co(NO2)6 and trans-Co[(en2)(NO2)2]NO3 interplay between the quadrupole coupling and anisotropic shielding tensors

The purpose of this paper is to investigate the interplay between the chemical shielding anisotropy and quadrupole interaction in MQMAS spectra. in the compounds Na₃Co(NO₂)₆ and trans-Co[(en₂)(NO₂)₂]NO₃ provides model systems for such an investigation. Furthermore, only few results have been reported on the application of the MQMAS method to a spin I=7/2. The possibilities of the MQMAS spectroscopy for determining the relative orientation of the two tensors and its advantage over previous techniques are discussed. Reported experimental spectra at different spinning speeds of Na₃Co(NO₂)₆ are accurately reproduced by our theoretical simulations. The calculations are based on a recent approach, summarized in the present paper, which allows one to perform efficient simulations of MQMAS spectra including all interactions and their time-dependence throughout the experiment. This is necessary for calculating accurate MQMAS spectra including the spinning sideband pattern. In the case of trans-Co[(en₂)(NO₂)₂]NO₃ where the quadrupolar interaction and chemical shielding are stronger and their axes are non-coincident, the MQMAS spectrum is strongly distorted due to the unsufficient spinning speed and RF power. In this case, MAS at different spinning speeds is shown to provide valuable information.     

Porous WO3 from anodized sputtered tungsten thin films for NO2 detection

In this paper, porous WO₃ films were prepared by anodic oxidation of metallic tungsten (W) films deposited on alumina substrates. The structural and morphological properties of the porous WO₃ films were investigated using field emission scanning electron microscope (FESEM) and X-ray diffraction (XRD). A large number of cracks appeared on the surface of films after anodization, which makes the films porous. The porous WO₃ sensors achieved their maximum response values to NO₂ at a low operating temperature of 150 °C. The porous WO₃ sensors showed high response values, great stability and fast response-recovery characteristics to different concentration of NO₂ gas due to the high specific surface area and special structural and morphological properties.     

Core electron ionization energies and electronic structure of Ti(NO3)4 and Cu(NO3)2

Gas phase X-ray photoelectron spectra of Ti(NO₃)₄ and Cu(NO₃)₂ are reported and discussed in terms of the molecular charge distributions. No measurable splitting is observed between the 1s ionization energies of the chemically distinct oxygen atoms in either molecule. Ab initio calculations for Cu(NO₃)₂ suggest that this is due in large measure to differential orbital relaxation occurring upon core electron ionization.     

Evidence of phase transitions in K2PbCu(NO2)6

The heat capacity of K₂PbCu(NO₂)₆ shows anomalies at 273K and 280K, which are accompanied by length changes. At 280 K a change in the E.S.R. spectrum is observed.     

Preparation of WO3 nanoparticles and application to NO2 sensor

WO₃ nanoparticles were prepared by evaporating tungsten filament under a low pressure of oxygen gas, namely, by a gas evaporation method. The crystal structure, morphology, and NO₂ gas sensing properties of WO₃ nanoparticles deposited under various oxygen pressures and annealed at different temperatures were investigated. The particles obtained were identified as monoclinic WO₃. The particle size increased with increasing oxygen pressure and with increasing annealing temperature. The sensitivity increased with decreasing particle size, irrespective of the oxygen pressure during deposition and annealing temperature. The highest sensitivity of 4700 to NO₂ at 1 ppm observed in this study was measured at a relatively low operating temperature of 50 °C; this sensitivity was observed for a sensor made of particles as small as 36 nm.     

Successive jahn-teller phase transitions in Cs2PbCu(NO2)6

The sequential Jahn-Teller phase transitions in Cs₂PbCu(NO₂)₆ were studied by neutron and X-ray diffraction technique. In each phase we observed satellite reflections. The position of satellites in the reciprocal space is commonly given by $\text{k}{}_{\mathrm{<mtext>0</mtext>}}\text{= (}\text{1}\text{2}\text{1}\text{2}\text{ζ)}$ with $\text{0?ζ?0.5.}$ In Phase II and Phase IV, the values of ζ are definitely determined as ζ = 0 and ζ = 0.5 respectively. In Phase III, ζ is not definite within $\text{0.20?ζ?0.25}$ depending on samples, thermal cycling,etc. Phase III may be an incommensurate phase although there is the tendency that the value of ζ is locked in either at 0.20 ($\text{1}\text{5}$) or at 0.25 ($\text{1}\text{4}$).     

NO2分子高灵敏度痕量探测技术研究

 搭建了一台基于蓝光LED的非相干宽带腔增强吸收光谱系统,并将其应用于NO2分子的高灵敏度痕量探测研究。在3 s采样时间下, 系统探测灵敏度为3.2×10-9 cm-1（1 σ）,对应NO2的探测极限约为187 pmol/mol。利用Allan方差对系统最佳采样时间及系统稳定性进行分析,当采样时间延长至30 s时,系统的探测极限可提高至44 pmol/mol。将该系统应用于实际大气中NO2的连续测量,其测量结果与商业化NOx分析仪（Thermo 42i）进行了比对测试。     

Infrared laser magnetic resonance (LMR) spectroscopy of NO2 (ν2) with a CO2 laser

The infrared laser magnetic resonance spectra for the ν₂ band of NO₂ were observed by using a CO₂ laser. High-K vibration-rotation transitions from ^rR₆(N) to ^rR₁₁(N) (v₂ = 1 ← 0) were observed. The analysis yielded some molecular parameters including two g factors for the excited vibrational state (v₂ = 1).     

Magnetic phase diagram of Ni(NO3)2 6NH3

The magnetic phase diagram of Ni(NO₃)₂6NH₃ was determined from the field and temperature dependence of the magnetic susceptibility. The zero temperature exchange and anisotropy fields were determined to be H_E(0) ≈ 26 kOe and H_A(0) ≈ 0.7 kOe respectively.     

光腔衰荡光谱法测量大气中的NO3和N2O5

本文应用基于二极管激光器的双路光腔衰荡光谱技术,分别对大气中NO₃和N₂O₅浓度进行监测. 通过使用实验室标准样校正有效吸收腔长比R_L和系统的总损耗系数?,并获得了NO₃有效吸收截面. 该装置在时间分辨率为1 s时,对NO₃的测量灵敏度达到1.1 pptv,N₂O₅被在线转换成NO₃,从而被另一路光腔衰荡光谱装置探测. 利用该装置,对合肥市区冬季夜间大气中的NO₃,N₂O₅浓度进行了实时监测. 通过对比一次大气快速清洁过程中氮氧化物、臭氧、PM_2.5等组分的浓度变化,讨论了大气环境下可能影响NO₃及N₂O₅浓度的因素.