Synthesis and complexation studies of intra annularly linked bicyclic cyclophanes

The cyclophanes derived from 2,6-bis(chloromethyl)benzoquinone and suitable dithiols were reduced with sodium dithionate and then further coupled with various dibromides to give intra annularly linked bicyclic cyclophanes, which forms charge transfer complexes with TCNQ and TCNE.     

Formation and hydrogenation of p(2 × 2)-N on Pt(1 1 1)

The formation of a well-ordered p(2 × 2) overlayer of atomic nitrogen on the Pt(1 1 1) surface and its reaction with hydrogen were characterized with reflection absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). The p(2 × 2)-N overlayer is formed by exposure of ammonia to a surface at 85 K that is covered with 0.44 monolayer (ML) of molecular oxygen and then heating to 400 K. The reaction between ammonia and oxygen produces water, which desorbs below 400 K. The only desorption product observed above 400 K is molecular nitrogen, which has a peak desorption temperature of 453 K. The absence of oxygen after the 400 K anneal is confirmed with AES. Although atomic nitrogen can also be produced on the surface through the reaction of ammonia with an atomic, rather than molecular, oxygen overlayer at a saturation coverage of 0.25 ML, the yield of surface nitrogen is significantly less, as indicated by the N₂ TPD peak area. Atomic nitrogen readily reacts with hydrogen to produce the NH species, which is characterized with RAIRS by an intense and narrow (FWHM ∼ 4 cm⁻¹) peak at 3322 cm⁻¹. The areas of the H₂ TPD peak associated with NH dissociation and the XPS N 1s peak associated with the NH species indicate that not all of the surface N atoms can be converted to NH by the methods used here.     

增湿活化反应器内喷水脱硫试验研究

本文介绍在热态脱硫试验台上进行的生石灰和消石灰的喷水活化脱硫试验,研究了Ca/S比、饱和温距、入口烟气SO2浓度、烟气速度及水喷嘴雾化风对脱硫效率和钙利用率的影响规律,对两种脱硫剂的脱硫活性进行了比较,并对喷水增湿提高脱硫效率的机理进行了分析。研究表明,喷水增湿使两种脱硫剂的活性都有明显提高,生石灰具有价格优势。     

夫琅禾费衍射公式的一般形式

从不同的途径导出了大角度情形下亦成立的夫琅禾费衍射积分的一般形式，指出此一般形式公式是求解夫琅禾费衍射的基本公式．并通过对夫琅禾费衍射公式的级数形式的推导，揭示了傅里叶光学中“夫琅禾费衍射公式”与一般形式公式存在的差别，以及消除这种差别的措施．此外，还较详细地讨论了倾斜因子对衍射花样的影响．这对于衍射测量及深入理解夫琅禾费衍射的本质有一定的指导意义．     

Co-P非晶态合金电子性质和局域结构的理论研究

根据Co P非晶态合金结构的短程有序和结构中可能存在P -P相互作用的实验事实 ,选择了单磷原子簇模型ConP(n =1～ 5 )和双磷原子簇模型ConP2 (n =1～ 4 ) ,用密度泛函理论方法对其进行计算 .结果表明 ,在单磷Co2 P( 2 ) 、Co3 P( 1) 及Co4P( 2 ) 模型体系中 ,Co原子供给P原子电子 ,与电负性规则一致 ,同时Co和P之间具较强化学作用 ,可以形成稳定的原子簇 ;而在双磷和单磷原子簇Co5P( 1) 模型体系中 ,形成的原子簇不稳定 ,采用单磷Co2 P( 2 ) 、Co3 P( 1) 及Co4P( 2 ) 模型能较好地反映Co P非晶态合金的结构特点 .     

Improvements in Depth Selective Electron Mössbauer Spectroscopy

The conditions for achievement of high resolving power of depth selective conversion electron Mössbauer spectroscopy method at a combined installation ‘electron spectrometer–nuclear gamma-resonance spectrometer’ have been obtained. There has been made a considerable step in development of the method at its realization at a magnetic sector electron spectrometer with double focusing, equipped with electron source (a sample under investigation) of large-area and position-sensitive detector. The paper presents a prospective symmetrical version of a magnetic sector electron spectrometer that allows realizing more completely possibilities of the method. It is noted that the proposed method is particularly valuable for investigations of nanosystems, nanostrutures that contain Mössbauer nuclei.     

Use of a range scaling method to determine alanine/water stopping power ratios

A phantom composed of alanine dosimeter material has been constructed and depth–dose measurements made in a 10 MeV electron beam. The results have demonstrated the feasibility of using relative depth–dose measurements to determine stopping power ratios in materials of dosimetric interest. Experimental stopping power ratios for alanine dosimeter material and water agreed with the data of ICRU Report 37 within the uncertainty of the experiment (±1.2% at a 95% confidence level).     

A quantum chemical study on structure of 1,2-bis(diphenylphosphinoyl)ethane and phenol cocrystal

The cocrystal of 1,2-bis(diphenylphosphinoyl)ethane (DPPEO) with phenol (1:1) were studied theoretically with AM1, PM3, MNDO and MINDO/3 semi-empirical methods to elucidate its structure. The bond lengths and angles from theoretical studies of molecule DPPEO/phenol (1:1) were found to be as expected. Theoretical results, concerning with intermolecular van der Waals forces in cocrystal, were compared with the previously obtained experimental data and AM1 results were found to be the best fit for bond lengths and angles of DPPEO/phenol.     

Spectral shifts and spectral switches in diffraction of ultrashort pulsed beams passing through a circular aperture

Based on the Fourier transform method, a simple closed-form expression for the on-axis power spectrum of ultrashort Gaussian pulsed beams in diffraction at a circular aperture is derived, which permits us to study spectral changes both analytically and numerically. It is shown that for diffracted pulsed beams there exist spectral red and blue shifts, spectral narrowing, and spectral switches in the near field. The aperture diffraction plays an important role in spectral switching, but both the truncation parameter and bandwidth (or equally, Fourier transform limited pulse duration) affect the behavior of spectral switches.     

The structure of CeAlO3 by Rietveld refinement of X-ray powder diffraction data

The room temperature structure of perovskite CeAlO₃ has been reinvestigated by X-ray powder diffraction. The Rietveld refinement has confirmed the tetragonal symmetry; but revealed a super cell, a=5.32489(6) Å and c=7.58976(10) Å, with the space group I4/mcm. In CeAlO₃, the distortion from the ideal cubic perovskite is caused by the cooperative tilting of the AlO₆ octahedra around the primitive cubic [001]_p-axis.