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61.
借助电子动量谱学结合量子化学理论和其他方法可以给出轨道电子在整个空间的分布信息,由此给出电子运动的完备描述[1,2 ] .清华大学电子动量谱学实验室近几年已成功地对甲烷[3] 、异丁烷[4 ] 、环戊烷[5] 、二乙酰等[6 ] 分子的轨道电子动量分布进行了测量.我们利用第二代电子动量谱仪首次对CH2 F2 分子3a1和2b2 轨道的电子动量谱进行测量,并与理论计算结果作了比较.同时还计算了坐标空间和动量空间中电子在x - y平面的密度分布.电子动量谱学最基本的过程是(e ,2e)反应,即电子与靶粒子碰撞而发生的电离过程.而对于(e ,2e)反应,含有大量信… 相似文献
62.
用射频等离子体方法在玻璃基底上制备的类金刚石(DLC)薄膜,采用离子注入法掺氮,并对掺氮DLC薄膜紫外(UV)辐照前后的性能变化进行了研究。研究结果表明:随氮离子注入剂量及UV辐照时间的增加,位于2 930cm-1附近的SP
3C-H吸收峰明显变小,而位于1 580cm-1附近的SP2C-H吸收峰则明显增强,薄膜的电阻率明显呈下降趋势;随UV辐照时间的增加,位于1 078cm-1附近的Si-O-Si键数量及位于786cm-1附近的Si-C键数量明显增加。即氮离子注入和UV辐照明显改变了DLC薄膜的结构与特性。 相似文献
63.
Vincent Maurice 《Surface science》2005,581(1):88-104
STM, STS, LEED and XPS data for crystalline θ-Al2O3 and non-crystalline Al2O3 ultra-thin films grown on NiAl(0 0 1) at 1025 K and exposed to water vapour at low pressure (1 × 10−7-1 × 10−5 mbar) and room temperature are reported. Water dissociation is observed at low pressure. This reactivity is assigned to the presence of a high density of coordinatively unsaturated cationic sites at the surface of the oxide film. The hydroxyl/hydroxide groups cannot be directly identify by their XPS binding energy, which is interpreted as resulting from the high BE positions of the oxide anions (O1s signal at 532.5-532.8 eV). However the XPS intensities give evidence of an uptake of oxygen accompanied by an increase of the surface coverage by Al3+ cations, and a decrease of the concentration in metallic Al at the alloy interface. A value of ∼2 for the oxygen to aluminium ions surface concentration ratio indicates the formation of an oxy-hydroxide (AlOxOHy with x + y ∼ 2) hydroxylation product. STM and LEED show the amorphisation and roughening of the oxide film. At P(H2O) = 1 × 10−7 mbar, only the surface of the oxide film is modified, with formation of nodules of ∼2 nm lateral size covering homogeneously the surface. STS shows that essentially the valence band is modified with an increase of the density of states at the band edge. With increasing pressure, hydroxylation is amplified, leading to an increased coverage of the alloy by oxy-hydroxide products and to the formation of larger nodules (∼7 nm) of amorphous oxy-hydroxide. Roughening and loss of the nanostructure indicate a propagation of the reaction that modifies the bulk structure of the oxide film. Amorphisation can be reverted to crystallization by annealing under UHV at 1025 K when the surface of the oxide film has been modified, but not when the bulk structure has been modified. 相似文献
64.
J. T. Hoeft M. Polcik D. I. Sayago M. Kittel R. Terborg R. L. Toomes J. Robinson D. P. Woodruff M. Pascal G. Nisbet C. L. A. Lamont 《Surface science》2003,540(2-3):441-456
The local adsorption geometry of CO adsorbed in different states on Ni(1 0 0) and on Ni(1 0 0) precovered with atomic hydrogen has been determined by C 1s (and O 1s) scanned-energy mode photoelectron diffraction, using the photoelectron binding energy changes to characterise the different states. The results confirm previous spectroscopic assignments of local atop and bridge sites both with and without coadsorbed hydrogen. The measured Ni–C bondlengths for the Ni(1 0 0)/CO states show an increase of 0.16 ± 0.04 Å in going from atop to bridge sites, while comparison with similar results for Ni(1 1 1)/CO for threefold coordinated adsorption sites show a further lengthening of the bond by 0.05 ± 0.04 Å. These changes in the Ni–CO chemisorption bondlength with bond order (for approximately constant adsorption energy) are consistent with the standard Pauling rules. However, comparison of CO adsorbed in the atop geometry with and without coadsorbed hydrogen shows that the coadsorption increases the Ni–C bondlength by only 0.06 ± 0.04 Å, despite the decrease in adsorption energy of a factor of 2 or more. This result is also reproduced by density functional theory slab calculations. The results of both the experiments and the density functional theory calculations show that CO adsorption onto the Ni(1 0 0)/H surface is accompanied by significant structural modification; the low desorption energy may then be attributed to the energy cost of this restructuring rather than weak local bonding. 相似文献
65.
四种别藻蓝蛋白三聚体的时间分辨荧光光谱研究 总被引:6,自引:0,他引:6
研究了从Anabanavaribilis中提取的4种别藻蓝蛋白APCI,APCII,APCII及APCB三聚体的稳态光谱和皮秒荧光光谱。采用Monte-Carlo方法对瞬态荧光光谱进行拟合,实验结果表明:APCI荧光有两个带,其中第一个带位于662nm,有两个时间组分:35.8ps和1.67ns;第二个带位于680nm,有两个时间组分:34.2ps和1.64ns;APCII瞬态荧光位于660nm,有两个时间组分:20.4ps和1.64ns;APCII瞬态荧光位于660nm,有两个时间组分:23.8ps和1.76ns;APCB瞬态荧光有两个带,其中第一个带位于662nm,有两个时间组分:36.6ps和1.45ns;第二个带位于680nm,有两个时间组分:25.8ps和1.62ns。实验结果一方面说明了藻胆体核内4种别藻蓝蛋白形成能量传递的两条途径;另一方面瞬态荧光解叠结果揭示了APCI和APCB三聚体内能量传递的超快过程。 相似文献
66.
The dehydration of molybdic acid, MoO3---H2O, was studied by thermal analysis, X-ray diffractometry and FTIR spectroscopy. The results show that an intermediate phase, MoO3-2/3H2O is formed at 216 °C and the monoclinic form of MoO3 is grown above 350 °C. The mechanism of dehydration and structural rearrangement were confirmed by the features of the infrared spectra showing formation of corner-shared MoO6 octahedra. 相似文献
67.
68.
Contaminant uranium poses unique problems for decontamination of former weapons processing and nuclear power facilities, as well as chemical plants, waste storage sites and former mining facilities. In addition, dealing with the possibility of intentional (i.e., a terrorist act) or accidental release of radioactive material in a populated area requires an accurate understanding of the nature of the association of such material with structural surfaces. These surfaces must also be considered in the context of repeated contamination, and the importance of atmospheric exposure, interaction with other possible contaminants, and corrosion or surface degradation due to such exposure must be taken into account. Complementary spectroscopic techniques, especially surface spectroscopies, are essential in developing models for the interaction of contaminants with surfaces and interfaces. In this review (which also presents new data on uranium association with corroding steel surfaces), we collect models of this association as determined by spectroscopic techniques, assess the important considerations in the development of more accurate models, and address some of the questions which remain. 相似文献
69.
Bart M. J. M. Suijkerbuijk Duncan M. Tooke Anthony L. Spek Gerard van Koten Robertus J. M. Klein Gebbink Prof. Dr. 《无机化学与普通化学杂志》2007,633(15):2649-2653
A tin(IV) porphyrin was combined with two axial NCN‐pincer platinum(II) fragments by utilizing the oxophilicity of the apical positions on the tin atom and the acidic nature of the NCN‐pincer platinum derived benzoic acid. The solid‐state structure determined by X‐ray crystallography revealed some close contacts between the pincer complexes and the meso‐p‐tolyl subsitutents of the porphyrin. It was shown by 1H NMR spectroscopy that these close contacts were not present in solution and that this compound can potentially act as a novel building block for supramolecular architectures. 相似文献
70.