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C2H3自由基与O2反应的红外发射光谱及反应通道 总被引:2,自引:0,他引:2
The reaction of vinyl radicals with oxygen was investigated by Time-Resolved Fourier Transform infrared emission spectroscopy. The radicals were produced by the pulsed laser photolysis of C_2H_3Br at 248 nm. Vibrationally excited products of H_2CO(v1), HCO(v3), CO_2(v3, v), CH_3(v3), C_2H_2(v3), HO_2(v1), C_2H_2O_2(v3+v11), CO(v) formed in the C2H3+O_2 reaction have been observed. Four elementary reaction channels have been verified. 相似文献
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C2H3是一个不饱和自由基及烃类化合物燃烧过程中的重要中间体,它的基元反应是影响燃烧过程速率和最终产物的重要反应.已有人在实验和理论方面研究了C2H3和O2,H2等体系[1-12]的基元反应,但迄今为止,我们还没有看到对于C2H3+NO体系的研究报导.本文报导了用时间分辨傅立叶变换红外发射光谱(TR-FTIR)研究C2H3+NO基元反应的结果.1实验 C2H3自由基是在248nm(KrF激光,Lambda,Physik,LPX305i,单脉冲能量约为110mJ)光解C2H3Br产生的.时间分辨傅立叶变换红外发射光谱(FTIR)方法在我们以前的文章中已有介绍[13].实验… 相似文献
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The elementary reaction of C2H3+ NO has been reported for the first time in this paper.C2H3 radical was produced by laser photolysis of vinyl bromide at 248 nm. Vibrationally excited reaction products H2CO,NCO and HCN were observed. Two exothermic reaction channels leading to HCN+ H2CO and CH3+ NCO are identified. 相似文献
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以AlCl3 为络合物配体, 研究Sm2O3Eu2O3Gd2O3 的分离特性。结果表明, 其传输能力为:Sm ≈Gd> Eu, 氯化物主要在980 ~1100 K 沉积。不同温区的最大分离系数分别为: βEu/Sm;1200 K= 1-70 ,βEu/Gd;1300 K= 1-88 , βSm/Gd;1300 K = 1-24 , β′Sm/Eu;850 ~880 K= 2-76 , β′Gd/Eu;880~900 K = 2-83 , β′Gd/Sm;800 K=1-12 , 高于传统的湿法分离系数。 相似文献
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用INDO系列方法对C_(28)H_3Cl,C_(28)H_2Cl_2,C_(28)HCl_3,CH_3Cl,CH_2Cl_2,CHCl_3进行了几何构型优化,Q_(28)H_3Cl,Q_(28)HCl_3,CH_3Cl,CH_3Cl为C_3_v对称性,C_(28)H_2Cl_2,CH_2Cl_2为C_2.对称性,这六个分子的基态都是稳定闭壳层分子,以此构型为基础计算了上述分子的电子光谱,Q_(28)H4-nCl_n(n=1~3)的电子光谱属于理论预测性质. 相似文献
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用时间分辨-傅立叶变换红外发射光谱法研究了OH自由基与CO的反应.OH自由基由248 nm的激光光解硝酸得到.在实验中首次观测到了产物CO2的非对称伸缩振动(ν3)的激发态.对CO2发射光谱的拟合结果显示,其振动态的布居在量子数v=2时最大 ,而最高振动量子数达到v=6.由实验得到的CO2振动布居与Schatz等人用全量子化计算该反应的中间物HOCO解离动力学得到的CO2布居结果能很好地吻合. 相似文献
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Stabilities and Electronic Spectra for C78O2 Isomers 总被引:1,自引:0,他引:1
TENG Qi-Wen① WU Shi 《结构化学》2005,24(8):925-929
1 INTRODUCTION Functional derivatives of fullerenes have aroused chemists’ interest and monofunctional products are accompanied by difunctional derivatives[1~3]. Diede- rich[1] prepared and detected C70O2 by the FAB mass spectrum. Kalsbeck[2] synthesized C60On (n = 1~4) by electrochemical oxidation of C60. Wood[3] investi- gated photolysis of a crude fullerene mixture and obtained C60On (n = 2~5) and C70O2. Menon[4] stu- died the optimized structures and electronic proper- ties o… 相似文献
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Equilibrium geometries of 16 possible isomers for C74(BN)2 were studied by INDO series of methods, to indicate that the most stable three geometries are those where boron and nitrogen atoms substitute carbon atoms located at the same hexagon near the longest axis of C78 (C2v) to form B-N-B-N unit. Electronic spectra of C74(BN)2 were investigated with INDO/CIS method. The reason for the red shift of UV absorptions for C74(BN)2 compared with those of C78 (C2v) was discussed. IR spectra for 9,8,28,29-C74(BN)2 and 28,29,30,31-C74(BN)2 were calculated on the basis of AM1 geometries. 相似文献
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The IR spectra of decationized zeolites with adsorbed bases have been analyzed. A correlation between the shift (OH) of the center of gravity of the set of bandsA,B, andC (components of the (OH) vibration) and the strength of the H-bond between the bridging hydroxyl groups and the molecule of a base has been found. This is evidence in support of the Fermi-resonance nature of the perturbations of the (OH) vibration. Spectral data on the adsorption of H2O and MeOH on decationized zcolitcs that cannot be interpreted in terms of the formation of complexes with strong H-bonds have been obtained. Arguments in favor of the formation of H3O+ and MeOH2
+ ions linked to the neighboring oxygen atoms in the zeolitc latticevia two identical hydrogen bridges have been presented.Na—Y zeolites were synthesized by N. N. FeoktistovaTranslated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1377–1381, June, 1996. 相似文献
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Mo-Y2O3阴极的热电子发射性能 总被引:2,自引:0,他引:2
利用装管发射、电子显微分析等手段系统地研究了含3%~5%(wt)Y2O3的MoY2O3热阴极丝的电子发射性能和材料显微结构。结果表明,MoY2O3丝具有良好的热电子发射能力,与WThO2阴极相比发射效率高、工作温度低。经过与MoLa2O3丝同样的碳化处理后,用Φ026mm的MoY2O3丝作阴极的实验电子管与MoLa2O3阴极电子管相比发射性能更稳定。MoY2O3阴极丝材的显微结构为具有亚结构的纤维状组织,碳化层为粒状晶粒结构,该结构有利于Y2O3迁移和输送到阴极表面。 相似文献
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O(1D) atoms, generated via the laser photodissociation of N2O at 193 nm, reacting with N2O was studied by Time-Resolved Fourier Transform Infrared (TR-FTIR) Spectroscopy. The IR emission from NO(v? 1–11.) was collected at 30 μs after the laser was fired. Several instrumental corrections were made to obtain reliable experimental results. The vibrational temperature of the nearly-nascent NO product was estimated to be Tv ? 9,000 K. A Quasi-Classical Trajectory (QCT) calculation of the reaction was performed. The calculated results, corresponding to a head-on attack mechanism, agree with the experimental data. Additional reaction channel with side-on attack producing N2 and O2 was also studied by QCT, where vibrationally hot O2(a 1 Δg) and cold N2(X1∑g+) products are predicted. 相似文献
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Recently, owing to high costs and increasing demands for better catalysts, it is worthwhile to improve its activity and selectivity, and reduce its costs. Adding secondary promoters such as phosphorus, boron, magnesium, titanium, zinc and ruthenium to Co-Mo/Al_2O_3 catalyst has been proved to be one of the ways to attain this result. The addition of those metals or metal oxides changes the surface states of molybdenumstructure. 相似文献
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The O(3P) + C2H2 reaction plays an important role in hydrocarbon combustion. It has two primary competing channels: H + HCCO (ketenyl) and CO + CH2 (triplet methylene). To further understand the microscopic dynamic mechanism of this reaction, we report here a detailed quasi-classical trajectory study of the O(3P) + C2H2 reaction on the recently developed full-dimensional potential energy surface (PES). The entrance barrier TS1 is the rate-limiting barrier in the reaction. The translation of reactants can greatly promote reactivity, due to strong coupling with the reaction coordinate at TS1. The O(3P) + C2H2 reaction progress through a complex-forming mechanism, in which the intermediate HCCHO lives at least through the duration of a rotational period. The energy redistribution takes place during the creation of the long-lived high vibrationally (and rotationally) excited HCCHO in the reaction. The product energy partitioning of the two channels and CO vibrational distributions agree with experimental data, and the vibrational state distributions of all modes of products present a Boltzmann-like distribution. 相似文献
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以结晶氯化铝、氧氯化锆、甘氨酸为原料,通过分步溶解再混溶制备了甘氨酸铝锆水溶液,讨论了其稳定性,确定了较佳原料配比m(结晶氯化铝)/m(氧氯化锆)/m(甘氨酸)=12.46/8.00/16.39。并采用分步升温的烘干方法制得固体。进行了铝形态分布分析,测定了红外光谱,指认了其主要红外吸收带的归属。计算了羧基的反对称和对称伸缩振动频率的差值Δυ=154.73cm-1,说明甘氨酸通过羧基与金属离子配位形成的化学键为离子键。 相似文献