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91.
A stretch vibration Hamiltonian of H_2O has been derived by using the second quantization, unitary transformations and the optimization of coefficients. The energy spectrum obtained from this Hamiltonian is in good agreement with that of experiments. The multiphoton excitation and the energy absorption of H_2O in intense laser fields have been calculated. 相似文献
92.
提出了用草酸.邻菲哕啉去除硅灰石中Fe^2 的方法,研究了浸取剂的浓度、浸取时间和温度等条件对Fe^2 的去除率的影响,在最佳的浸取条件下,Fe^2 的去除率达到98.35%。在去除猝灭剂后的硅灰石矿物中,掺加适量的稀土激活剂Eu^3 ,通过高温固相法制成荧光发光材料,发光强度明显提高,接近于化学试剂合成的发光材料。 相似文献
93.
In a reaction system consisting of FeCl2,tetrathiometallate and cycloalkylthiolate,two Fe4S4 cubane-like cluster compounds were obtained with the following crystallographic data:(PhCH2NMe32[Fe4S4 (SC5H9)4](Ⅰ),monoclinic space group P21/c,a=1.6327(4),6=1.1229(3),c=2.802 5( 10) nm,β=94.63(2)°,Z=4,and R=0.074; (Et4N)2[Fe4S4(SC6H11)4](Ⅱ),tetragonal space group I42m,a=1.16705(9),b=1.167 06(2),c=2.063 26(5) nm,Z=2,Dabs=1.28 g/cm3,and R=0.078 The participation of cy-cloalkylthiolate ligand does not obviously arouse the change of the Fe4S4 core structure.Meanwhile,the influence of the cation on the structural symmetry of the Fe4S4 cluster dianion is also discussed. 相似文献
94.
合成了5个2,5-二芳基-1,3,4-(口恶)二唑衍生物环金属配合物配体,其化学结构经1H NMR、IR和元素分析得到确证. 利用紫外光谱、荧光光谱、差热分析(DSC)和循环伏安法测试技术分别研究了它们的光谱性能、热性能和电化学性能. 结果表明,该类衍生物在二氯甲烷溶液中的最大紫外吸收波长在268~327 nm范围,在二氯甲烷溶液和固体膜中的最大荧光发射波长分别在332~390 nm和359~439 nm范围;DSC分析结果表明,5个(口恶)二唑衍生物的起始吸热峰位于120~328 ℃之间,其中对称结构的(口恶)二唑衍生物显示了较高的熔融温度;由循环伏安图和相关计算结果表明,5个(口恶)二唑衍生物的还原电位位于-1.03~-0.98 V,其相应的最低非占有分子轨道能级(LUMO)在-3.71~-3.76 eV之间. 相似文献
95.
聚合物对泌尿系结石的形成具有抑制和促进双重作用。本文综述了聚合物对尿石矿物草酸钙成核、生长、聚集及其与尿路细胞膜黏附影响的研究进展,讨论了聚合物影响草酸钙晶面和形貌的机理,指出了该领域所面临的问题和将来的发展方向。 相似文献
96.
For the first time the isomerization of 1,3,2-diazaphospholidine-2-sclenide dervatives in refluxing benzene in the presence of trace water was observed. The structures of isomerized products were determined by IR, ^1H NMR,^31P NMR, elemental analysis and X-ray crystallography. The mechanism of isomerization was also proposed. 相似文献
97.
98.
DENG Shui-Quan HUANG Xiao-Yin ZHUANG Hong-HuiHUANG Jin-LingState Key Laboratory of Structural Chemistry Fujian Institute of Research on the Structure of Matter Chinese Academy of Sciences Fuzhou Fujian ChinaLIN Zhen-GuangDepartment of Chemistry Fujian Teachers'''' University Fuzhou Fujian China 《中国化学》1994,12(3):270-276
An open chain compound was obtained by reaction of benzil with thiocarbohy-drazide in acidic condition. Its derivative, namely, benzil bis-(5-isopropylidene-3-thiocarbohydrazone) has been structurally characterized by X-ray single crystal diffraction method. Crystallographic data: C22H26N8S2, Mr=466.62, monoclinic, space group C2/c, a=12.215(3), b=11.473(2), c=17.032 (3)A, B=98.96(2)0, V=2357.7(9)A3, Z=4, Dc=1.32 g/cm3, F(000)=1040, u(Mo Ka)=2.43 cm-1. Final R=0.050, Rw=0.061 for 1103 unique and observed reflections with I> 3o(I). The effect of the structures on the formation of the open-chain intermediates during the cyclization of (2:2) Schiff base macrocyclic compound has been discussed and a possible mechanism for the ring closure has been suggested. 相似文献
99.
Transition metal oxide doped lanthanum gallates, La0.9Sr0.1Ga0.8M0.2O3 (where M=Co, Mn, Cr, Fe, or V), are studied as mixed ionic-electronic conductors (MIECs) for electrode applications. The
electrochemical properties of these materials in air and in H2 are characterized using impedance spectroscopy, open cell voltage measurement, and gas permeation measurement. Three single
cells based on La0.9Sr0.1Ga0.8 Mg0.2O3 (LSGM) electrolyte (1.13 to 1.65 mm thick) but with different electrode materials are studied under identical conditions
to characterize the effectiveness of the lanthanum gallate-based MIECs for electrode applications. At 800 °C, a single cell
using La0.9Sr0.1- Ga0.8Co0.2O3 as the cathode and La0.9Sr0.1Ga0.8Mn0.2O3 as the anode shows a maximum power density of 88 mW/cm2, which is better than that of a cell using Pt as both electrodes (20 mW/cm2) and that of a cell using La0.6Sr0.4CoO3 (LSC) as the cathode and CeO2-Ni as the anode (61 mW/cm2) under identical conditions. The performance of LSGM-based fuel cells with MIEC electrodes may be further improved by reducing
the electrolyte thickness and by optimizing the microstructures of the electrodes through processing.
Received: 9 January 1998 / Accepted: 1 May 1998 相似文献
100.