由NO分子从头计算结果和紫外光电子能谱确定NO的分子结构

对于NO分子轨道的能级次序现有两种不同的说法,不少人根据NO与O_2~+是等电子体,由O_2~+分子的能级次序确定NO分子组态。本文用NO和O_2~(+)从头计算结果以及NO的紫外光电子能谱相结合的方法说明NO的5σ轨道是弱成键轨道,5σ的轨道能稍高于1π轨道能,也就是说NO的能级次序是与N_2分子相同的;NO与O_2~+虽是等电子体,但是能级次序并不相同,因此由O_2~+的能级次序确定NO分子的电子组态是不妥的。     

Calculation of the thermondynamic values of alkylthiazoles from the Kovats retention indices on the basis of the non-linear additivity principle

Summary Retention indices and their energy equivalents were determined for ten alkylthiazoles analysed on the stationary phases Apiezon L, Triton X-305 and Carbowax 1000. It was found that the energy contributions of identical alkyl groups to the partial molar free energy of sorption of a molecule are not equivalent. Smaller energy contribututions are due to the α-position of alkyl groups with respect to the heteroatoms in the thiazole ring (α-effect). This effect was most pronounced for 2-alkylthiazoles. Higher sorption energies were found for dimethylthiazoles with two methylgroups in a vicinal position. The retention indices were predicted for ten other di- and tri-substituted methyl, ethyl and propyl thiazoles on the basis of the so-called α- and ortho-effects. The predicted values are in good agreement with the experimentally determined values. Dedicated to Prof. Dr. E. sz. Kováts (Ecole Polytechnique Fédérale de Lausanne) on the occasion of his sixtieth birthday.     

Luminescence Tuning of Sr8MgCe(PO4)7:Eu2+,Mn2+ Phosphors: Structure Refinement,Site Occupancy,and Energy Transfer

Sr₈MgCe(PO₄)₇:Eu²⁺,Mn²⁺ phosphor with whitlockite‐type structure was prepared by a combustion‐assisted solid‐state reaction. The crystal structure and luminescence properties were investigated. Under UV radiation, Sr₈MgCe(PO₄)₇ host exhibits a violet‐blue emission band from Ce³⁺ ions. When Eu²⁺/Mn²⁺ are doped into the host, the samples excited with 270 nm UV radiation present multicolor emissions due to the energy transfer (ET) from Ce³⁺ to Eu²⁺/Mn²⁺. The emitting color of Sr₈MgCe(PO₄)₇:Eu²⁺ can be tuned from violet‐blue to yellow‐green, whereas Sr₈MgCe(PO₄)₇:Mn²⁺ can emit red light. Under excitation with long wavelength at 360 nm, Sr₈MgCe(PO₄)₇:Eu²⁺ phosphor shows a broadband emission from 390 to 700 nm, which is attributed to the 4f⁶5d¹→4f⁷ transition of Eu²⁺ without the contribution from Ce³⁺ emission. Tunable full‐color emitting light can be achieved in the Eu²⁺ and Mn²⁺‐codoped Sr₈MgCe(PO₄)₇ phosphor by ET_Eu–Mn through control of the levels of doped Eu²⁺ and Mn²⁺ ions. These results suggest that Sr₈MgCe(PO₄)₇:Eu²⁺,Mn²⁺ phosphor has potential applications in NUV chip pumped white LEDs.     

Microwave pyrolysis of straw bale and energy balance analysis

The compressed wheat and corn straw bale were pyrolyzed on a microwave heating device self-designed and built with respect to the time-resolved temperature distribution, mass loss and product properties. Considering scale up and technology promotion of microwave pyrolysis (MWP), the investigations on electricity consumption and energy balance of MWP were carried out emphatically. The results indicated that MWP had obvious advantages over conventional pyrolysis, such as heating rapid and more valuable products obtained. The distribution of pyrolysis products such as gas, liquid and char was close to 1:1:1 due to the medium pyrolysis temperature and the slow heating rate, which was not favorable for the formation of gas and/or liquid products. The content of H₂ attained the highest value of 35 vol.% and syngas (H₂ and CO) was greater than 50 vol.%. The electricity consumption of MWP was between 0.58 and 0.65 kW h (kg straw)⁻¹ and with the increase of microwave power, the electricity consumption required for pyrolysis of unit mass of straw increased. The minimum microwave power for MWP was about 0.371 kW (kg straw)⁻¹ and the proportion of heat loss and conversion loss of electricity to microwave energy occupied in the total input energy was 42%. Data and information obtained are useful for the design and operation of pyrolysis of large-sized biomass via microwave heating technology.     

绝热大气模型下中国地区0℃层高度上升原因的研究

已有研究表明,中国地区大气0℃层的高度自20世纪70年代以来上升了200m左右,本文应用大气绝热模型简单分析了0℃层上升的可能原因.     

Interlayer Energy Transfer from Naphthalene to Anthracene Chromophores Organized in Langmuir—Blodgett Films

Interlayer energy transfer between 2,3-naphthol-10-hexadecylaza-15-crown-5(NC16) and N-[1-(9-methoxyanthryl)] decylaza-15-crown-5(A10C) within multilayer Langmuir-Blodgett films has been studied by steady-state fluorescence spectra. The donor and acceptor could be separated precisely by inserting stearic acid (SA) spacers. The efficiency of the energy transfer increases with the decrease in the donor-acceptor distance by a quadratic manner, suggesting the donor excitations are delocalized in the layer.     

Energy Dispersive X-Ray Spectrometry by Microcalorimetry for the SEM

 Analytical X-ray spectrometry for electron beam instruments has advanced significantly with the development of the microcalorimeter energy dispersive X-ray spectrometer (μcal EDS). The μcal EDS operates by measuring the temperature rise when a single photon is absorbed in a metal target. A cryoelectronic circuit with electrothermal feedback and a superconducting transition edge sensor serves as the thermometer. Spectral resolution approaching 4.5 eV for high energy photons (6000 eV) and 2 eV for low energy photons below 2000 eV has been demonstrated in energy dispersive operation across a photon energy range from 250 eV to 8 keV. Spectra of a variety of materials demonstrate the power of the μcal EDS to solve practical problems while operating on a scanning electron microscope platform.     

Natural Cellulose Substance Based Energy Materials

Natural cellulose substances have been proven to be ideal structural templates and scaffolds for the fabrication of artificial functional materials with designed structures, psychochemical properties and functionalities. They possess unique hierarchically porous network structures with flexible, biocompatible, and environmental characteristics, exhibiting great potentials in the preparation of energy-related materials. This minireview summarizes natural cellulose-based materials that are used in batteries, supercapacitors, photocatalytic hydrogen generation, photoelectrochemical cells, and solar cells. When natural cellulose substances are employed as the structural template or carbon sources of energy materials, the three-dimensional porous interwoven structures are perfectly replicated, leading to the enhanced performances of the resultant materials. Benefiting from the mechanical strengths of natural cellulose substances, wearable, portable, free-standing, and flexible materials for energy storage and conversion are easily obtained by using natural cellulose substances as the substrates.