Synthesis of a novel rigid molecule family for the investigation of electron and energy transfer

Three new rigid bridging ligands for metal complexation (7=bmb, 8=bqb and 11=btb) were prepared from a rigid triptycene spacer connected to two bipyridine ligands using a Horner–Emmons type reaction. The triptycene spacer is substituted by methoxy groups in the case of bmb and in the case of bqb by a benzoquinone substituent. The corresponding metal complexes (ruthenium and/or osmium) were synthesised and the different luminescence behaviour was tested. They show great potential for the investigation of intramolecular electron and energy transfer reactions. The dinuclear metal complex Ru---bqb---Os is an interesting system in which the bridging ligand bqb acts as a redox switch, able to tune the conductivity for energy or electrons across the bridge.     

Spectrum analysis of U-doped LaBr3 single crystals. Part 1: crystal-field analysis

Single crystals of U³⁺:LaBr₃ were grown by the Bridgman-Stockbarger technique. High-resolution polarized absorption spectra of the crystals were recorded at 4.2 K in the 4000-50,000 cm⁻¹ range. Sixty-four experimental crystal-field energy levels of the U³⁺ ion were fitted to a semiempirical Hamiltonian employing free-ion, one-electron crystal-field as well as two-particle correlation crystal-field (CCF) operators with an r.m.s. deviation of 28 cm⁻¹. The performed analysis of the spectra enabled the determination of crystal-field parameters and assignment of the observed 5f³→5f³ transitions. The effects of selected CCF operators on the splitting of some specific U³⁺ multiplets have been investigated and the obtained values of Hamiltonian parameters are discussed and compared with those reported in previous analyses.     

Computer simulation of conformational movement based on interconversion phenomena

A computer method has been developed which is an alternative to molecular dynamics in the sense that it pictures conformational motion. It simulates propagation in conformational movement based on conformational interconversion phenomena. The method starts with the knowledge of the topology of the conformational potential energy hyper-surface, which is described by the minima and the transition states. The topology is obtained by the recently described software . The simulation of conformational motion is based on the Boltzmann statistics of movement between the minima and the transition states at a given temperature. The method is illustrated for methyl--glucopyranoside and - -galNAc(1-3)[- -Fuc(1-2)]Gal-O-Me molecules. Conformational transitions of hydroxyl groups as well as glycosidic linkages are discussed.     

“能源化学”本科专业建设建议

"Energy chemistry" was approved as one of the chemistry majors for undergraduate by the Ministry of Education in 2015. Based on the ideas and ways of emerging engineering education, this paper hereby proposed some of constructive suggestions on the training objectives, graduation requirements, curriculum system, teaching contents, teaching staff and conditions for development of "energy chemistry" major.     

The compensation effect as a result of integration of theArrhenius equation

Summary It has been shown that joined segments of straight lines are observed upon plotting the logarithm of the rate constant against the reciprocal temperature, exhibiting sharp breaks at so-called critical temperatures indicating sudden changes in activation energy [3, 5–8]. If the integration of the differential form of theArrhenius equation from 0 toT K is taken into account, the compensation effect can easily be explained.

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Der Kompensationseffekt als Ergebnis der Integration derArrhenius-Gleichung

Zusammenfassung Wenn man den Logarithmus der Geschwindigkeitskonstante gegen die reziproke Temperatur aufträgt, erhält man aufeinanderfolgende Teilstücke von Geraden mit scharfen Knicks bei sogenannten kritischen Temperaturen, welche jeweils eine Änderung der Aktivierungsenergie anzeigen [3, 5–8]. Integration derArrhenius-Gleichung zwischen 0 undT K führt zu einer zwanglosen Erklärung des Kompensationseffekts.

     

Enhanced visible-light-driven photodegradation of Acid Orange 7 azo dye in aqueous solution using Fe-N co-doped TiO2

FeN -co-doped TiO₂ photocatalysts are prepared by sol–gel method using titanium tetraisopropoxide, urea and iron(II) acetylacetonate as precursors of titania, nitrogen and iron, respectively. The prepared samples are analysed from chemical-physical point of view by X-ray diffraction (XRD), Raman spectroscopy, UV–Vis diffuse reflectance spectroscopy (UV–Vis DRS), specific surface area measurements and scanning electron microscopy (FESEM). UV–Vis DRS spectra evidence that the co-doping of TiO₂ with N and Fe leads to the narrowing of the band gap value (2.7 eV) with respect to Fe-doped TiO₂ (2.8 eV) and N-doped TiO₂ (2.9–3 eV). XRD patterns show that photocatalysts are mainly in anatase phase and Fe and N ions are successfully incorporated into the TiO₂ lattice. The average crystallite size of Fe-N co-doped TiO₂ is slightly lower than the other samples and equal to about 7 nm and the specific surface area of the co-doped sample results to be 117 m² g⁻¹. Photocatalytic performances of all prepared samples are evaluated by analysing the degradation of Acid Orange 7 azo dye under visible light irradiation. Photocatalytic efficiency obtained using FeN co-doped TiO₂ strongly increases compared to undoped TiO₂, N-doped TiO₂ and Fe-doped TiO₂ photocatalysts. In detail, using the co-doped photocatalyst, dye discoloration and mineralization result equal to about 90 and 83% after 60 min of LEDs visible light irradiation, underlining the best performances of the FeN co-doped TiO₂ photocatalyst both in terms of treatment time and electric energy consumption.     

稀有气体亚稳态原子与CCl4和CBr4的能量转移反应

CBr_4和CCl_4分子的解离反应前人已做了许多工作,他们分别采用射频放电、电子轰击、He~ 的传能反应等方法研究了CCl_4和CBr_4的解离反应,得到了CCI(A)、CCl~ 、CBr~ 等碎片的发射光谱。有关亚稳态原子与它们的传能反应,只有某些较简单的报道,对传能反应机理也未作深入探讨。本文研究了各种亚稳态原子He(2~3S)、Ne(~3P_(0.2))、Ar(~3P_(0.2))与CCl_4和CBr_4分子的传能反应,并对反应机理进行了初步的讨论和分析。     

C2H4-K体系中振动态至电子态传能的研究

用TEA CO_2激光将C_2H_4分子激发到高振动激发态，高振动激发态的C_2H_4分子与基态的K原子碰撞发生振动态→电子态（V→E）传能过程，根据提出的能级组模型，对测得的时间分辨原子荧光信号进行处理，获得温度在453－663 K范围内，C_2H_4-K体系中V→E传能速率的数量级为10~(-10)/cm~3·molecule~(－1)·s~(－1)，对应的碰撞传能截面约为0.30～0.80 nm．随着反应温度升高，V→E传能截面减小．上述实验结果表明碰撞体间吸引相互作用在这种非共振的V→E传能过程中起主要作用．利用多极相互作用势下的碰撞络合物模型对实验结果进行了讨论．     

粉煤灰与几种酸固相反应特性的表面分析

用扫描电镜．能量色散谱研究了粉煤灰与酸的固相反应过程中表面形貌和化学组成变化特性。室温下粉煤灰分别与HCI、HNO3、H2SO4、HCIO4固相反应后，表面产生直径20—200nm的结晶颗粒或晶柱。反应生成的水溶物结晶体的扫描电镜图像分别呈手指状、龟背形、蛛蛛状、蝙蝠态，分别为氯化铝铁混晶、硝酸铝铁混晶、硫酸铝铁混晶和高氯酸铝铁混晶。粉煤灰是硅、铝、铁等元素的氧化物聚集体，铁铝等氧化物主要分布在颗粒表面，氧化硅主要分布在颗粒内层。用少量酸进行固相反应这些氧化物聚集体可相互剥离，用H2SO4处理粉煤灰优先将铁铝氧化物转化成可溶性硫酸盐。     

工科学校本科生科研训练与实践——以节能减排大赛为例

Scientific research training is an essential part of undergraduate learning, which plays an important role in improving students' knowledge utilization and scientific literacy. Taking the participation process of "Energy conservation and emission reduction competition" as an example, this paper briefly introduces the undergraduate scientific research training of students majoring in polymer materials and engineering from their own perspective, and the way to combine the discipline and school characteristics to reflect the thinking of engineering students in scientific research and practical application.