Millimeter and submillimeter wave spectroscopic investigations into the rotation-tunneling spectrum of gGg ethylene glycol, HOCH2CH2OH

The rotation-tunneling spectrum of the second most stable gGg^′ conformer of ethylene glycol (1,2-ethanediol) in its ground vibrational state has been studied in selected regions between 77 and 579 GHz. Compared to the study of the more stable aGg^′ conformer, a much larger frequency range was studied, resulting in a much extended frequency list covering similar quantum numbers, J?55 and K_a?19. While the input data were reproduced within experimental uncertainties up to moderately high values of J and K_a larger residuals remain at higher quantum numbers. The severe mixing of the states caused by the Coriolis interaction between the two tunneling substates is suggested to provide a considerable part of the explanation. In addition, a Coriolis interaction of the gGg^′ ground vibrational state with an excited state of the aGg^′ conformer may also contribute. Relative intensities of closely spaced lines have been investigated to determine the signs of the Coriolis constants between the two tunneling substates relative to the dipole moment components and to estimate the magnitudes of the dipole moment components and the energy difference between the gGg^′ and the aGg^′ conformers. Results of ab initio calculations on the total dipole moment and the vibrational spectrum were needed for these estimates. The current analysis is limited to transitions with quantum numbers J?40 and K_a?6 plus those having J?22 and K_a?17 which could be reproduced within experimental uncertainties. The results are aimed at aiding radioastronomers to search for gGg^′ ethylene glycol in comets and in interstellar space.     

利用拉曼型的Jaynes-Cummings模型传送两比特的未知原子态

实现量子态的隐形传送、尤其是多比特量子态的隐形传送在量子信息领域中有非常重要的作用，提出了一种隐形传送两比特未知原子态的方案，在此方案中，用两个两粒子纠缠态代替一个三粒子纠缠态作为量子信道，而且此方案可推广到隐形传送N比特的未知原子态。     

Wave function mapping of self-assembled quantum dots by capacitance spectroscopy

We use frequency-dependent capacitance–voltage spectroscopy to study the dynamic charging of self-assembled InAs quantum dots. With increasing frequency, the AC charging becomes suppressed, beginning with the low-energy states. By applying an in-plane magnetic field, we generate an additional magnetic confinement that alters the tunneling barrier and hence the charging dynamics. In traveling through the potential barrier, the electrons acquire an additional momentum k₀, proportional to the magnetic field B. As the tunneling is enhanced, when k₀ matches the maximum of the electronic wave function Ψ (in momentum representation), we are able to map out the shape of Ψ by varying B.     

Si微电阻桥温度分布与热传导特性的显微Raman光谱研究

采用显微Raman光谱方法对红外目标模拟器中重掺杂Si微电阻桥单元的热传导特性进行研究，根据Si桥的实际特性建立相应的Raman散射模型，通过测量Raman峰位的移动得到高功率激光辐照下测量点的温度.对Si桥桥面分别进行了沿某些特殊线段的逐点线扫描和覆盖全部桥面的面扫描，得到各点的温升及其分布.用基于有限元分析的软件结合Si桥结构参数对各测量点的温升进行了模拟计算，其结果在热导分布的基本趋势上与实验相一致.实验细致地揭示了热导分布的局域起伏，反映出实际器件的不均匀性，为改进器件设计、优化器件性能提供了实验依据. 关键词： Raman光谱 Si桥 温度分布 热导     

Structural manipulation of pyrochlores: Thermal evolution of metastable Gd2(Ti1−yZry)2O7 powders prepared by mechanical milling

The structural and microstructural characteristics of metastable Gd₂(Ti_1−yZr_y)₂O₇ powders prepared by mechanical milling have been studied by a combination of XRD and Raman spectroscopy. Irrespective of their Zr content, as-prepared powder phases present an anion-deficient fluorite-type of structure as opposed to the pyrochlore equilibrium configuration obtained for the same solid solution by other synthetic routes. These fluorites are stable versus thermal activation, at least up to temperatures of 800 °C. For the Ti-rich compositions, thermal treatments at higher temperatures facilitate the rearrangement of the cation and anion substructures and the relaxation of mechanochemically induced defects whereas for compositions with high Zr content, the fluorite crystal structure is retained even at temperatures as high as 1200 °C. Interestingly enough, transient pyrochlores showing a very unusual cation distribution were observed during the thermally induced defect-recovery process.     

A microspectroscopic study of the electronic homogeneity of ordered and disordered Sr2FeMoO6

Disordered Sr₂FeMoO₆ shows a drastic reduction in saturation magnetization compared to highly ordered samples, moreover magnetization as a function of the temperature for different disordered samples shows qualitatively different behaviours. We investigate the origin of such diversity by performing spatially resolved photoemission spectroscopy on various disordered samples. Our results establish that e_xtensive electronic inhomogeneity, arising most probably from an underlying chemical inhomogeneity in disordered samples, is responsible for the observed magnetic inhomogeneity. It is further pointed out that these inhomogeneities are connected with composition fluctuations of the type Sr₂Fe_1+x Mo_1-x O₆ with Fe-rich (x > 0) and Mo-rich (x < 0) regions. Dedicated to Prof J Gopalakrishnan on his 62nd birthday.     

Synthesis,characterization and properties of methylaminocellulose

Homogeneously prepared tosylcelluloses (TC) with degrees of substitution (DS) of DS_Tos 0.1–1.8 were used as intermediates for the synthesis of methylaminocelluloses (MAC) by nucleophilic substitution with methylamine. TC with DS_Tos up to 1.1 were shown to be valuable intermediates for selective synthesis of MAC with DS_MA varying from 0.1 to approximately 1. No nucleophilic substitution was observed at higher DS_Tos. At the chosen reaction conditions (60 °C, 48 h) residual tosyl moieties remained unchanged and little hydrolysis took place. The samples obtained were characterized by means of elemental analysis, FTIR and ¹³C CP/MAS NMR spectroscopy. ¹³C CP/MAS NMR spectroscopy was found to be an efficient tool for quantification of DS_MA. Furthermore, the swelling behaviour in water was investigated and preliminary tests concerning the bilirubin adsorption capacity of MAC were carried out.     

氟化类金刚石薄膜的拉曼和红外光谱结构研究

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Formulation for XPS spectral change of oxides by ion bombardment as a function of sputtering time

XPS measurement revealed that the original state of TiO₂ was changed to Ti₂O₃ and TiO by ion bombardment. TiO₂ decreased and Ti₂O₃ increased at the initial stage. TiO increased at a later stage than Ti₂O₃. Each of them saturated after enough sputtering time.A formulation was proposed in order to explain the change of XPS spectra for oxides as a function of ion sputtering time. This formulation was based on reaction equations that contain two reduction processes (from TiO₂ to Ti₂O₃ and from Ti₂O₃ to TiO), and sputtering effects. Using four fitting parameters (two reduction coefficients, sputtering yield and information depth), the present formula was fitted to the experimental results. The fitting results agree satisfactorily with the experimental results. The calculation shows that the reduction coefficient from TiO₂ to Ti₂O₃ is about ten times larger than that from Ti₂O₃ to TiO. This calculation predicts that surface composition of an oxide that is changed by ion bombardment will reach a different value depending on its bulk composition. Moreover, the present formulation can determine the chemical states of compounds changed by ion bombardment.     

Possible spectroscopic manifestation of the angular group induced bond alteration (AGIBA) effect in toluene

The most obvious consequence of the concept of aromaticity is the common confidence that in aromatic compounds, bond lengths do not alternate and are between typical to the single and double ones. However, in 1994, performing crystal structure investigations of substituted pyridines and their salts, Krygowski and co‐workers have discovered a very surprising angular group induced bond alteration (AGIBA) effect: It appears that some angular substituents, like methoxy or nitrozo groups, can induce bond alternation in aromatic rings. Crystal studies do not allow one to operate with liquids that are more common in organic chemistry. This paper presents the first possible evidence of spectroscopic manifestations of the AGIBA effect. Raman spectra of the liquid toluene are analyzed. It is found that instead of being single, the line corresponding to the ring breathing vibrations is clearly split by 1.0–1.4 cm^?1, thus indicating the presence of two (cis‐ and trans‐) AGIBA isomers. The energy difference between these isomers estimated in temperature dependent Raman studies is found equal to 6.68 kJ mol^?1. The low‐wavenumber line therefore corresponds to the cis‐AGIBA isomer and the high‐wavenumber line to the trans‐AGIBA isomer stabilized by the AGIBA effect. Copyright © 2007 John Wiley & Sons, Ltd.