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The C atom in ideal graphite crystals is hybridized in sp^2 orbital and forms covalent bonds with adjacent 3 other C atoms. The graphite crystals consist of stacks of parallel hexagonal net planar layers. These layers are integrated with Van der Waals attraction.

理想的石墨晶体是由碳原子以sp^2杂化轨道和邻近的三个碳原子形成共价键,构成六角平面的网状层片结构,层片之间以Van der Waals力相结合。

We usedit as the macroinitiator,(copper monochloride/pentamethyldiethylenetriamine as thecatalyst), to initiate the atom transfer radical polymerization of Fx-14, thus weobtained a fluorine and silicone containing triblock copolymer.

以此聚合物为原子转移自由基聚合中的大分子引发剂,引发含氟单体Fx-14进行原子转移自由基聚合,得到了含氟、含硅的三嵌段共聚物。

The results indicated that the Fe3+ ion of Fe-AO-PAN was coordinated with three amino nitrogen atoms and three hydroxyl oxygen atoms of three amidoxime units on the surface of AO-PAN by covalent bond, and the coordination number was six.

结果表明, Fe-AO-PAN中的Fe3+能够与AO-PAN表面三个偕胺肟链节单元的三个氨基氮原子和三个羟基氧原子进行配位反应,配位数为6。

The crystal structures of two complexes have been determined by X-ray diffraction as: complex (11) is distorted octahedron configuration,α=15. 9002 (6), b=16. 2413 (5), c=23. 4401 (8)〓,β=90°, V=6053. 2 (4)〓, Z=8 and R=0.0531; complex (8) is trigonal bipyramidal configuration,α=9. 3476 (8), b=17. 4236 (13), c=9. 7836 (8)〓,β=91. 197 (3)°, V=1593. 1 (2)〓, Z=2 and R=0.0325, which shows that three secondary amine groups (N-1, N-2, N-3) of the glycosylamine ligand forms the equatorial plane, and the tertiary amine (N-4) and one Cl〓 are pointed on the apical positions.

分别对其进行X-ray衍射分析可以得出:配合物(11)的晶体数据为α=15.9002(6),b=16.2413(5),c=23.4401(8)〓,β=90°,V=6053.2(4)〓,Z=8 and R=0.0531,为畸变的八面体构型,而配合物(8)中,α=9.3476(8),b=17.4236(13),c=9.7836(8)〓,β=91.197(3)°,V=1593.1(2)〓,Z=2 andR=0.0325,为三角双锥构型,糖胺配体的三个氮原子(N-1,N-2,N-3)位于赤道平面上,而另外一个氮原子(N-4)和一个Cl〓位于轴向上。

With the ab initio PESs, we calculate the ro-vibrational energy levels of three dimers and their isotopomers using Sinc-DVR method.

预测了三个体系的振动束缚态和波函数,从Ar原子到He原子,零点能依次升高。

The combinative effect of the fluorine substitute and the bridging unit can make complex 2 as a highly active and selective catalyst for ethylene trimerization.

氟原子效应和桥碳原子上大取代基效应两者结合在一起,可以使络合物2成为一种高活性和高选择性的乙烯三聚催化剂。

The structural characteristics of the ligand of the chiral Schiff base are that the ligand has phenol hydroxyl, alcoholic hydroxyl and an imine group, one to three bromine atoms are provided on the framework of double benzene nucleus, and chiral carbon is connected with the nitrogen atom of imine.

手性西佛碱配体的结构特征为含有酚羟基、醇羟基和亚胺基团,在萘环骨架上带有一至三个溴原子,手性碳与亚胺的氮原子相连。

Based on the large detuned interaction between aΛ-type three-level atomand a coherent optical field, we propose the scheme for the generation of multi-atomentangled states and multi-cavity entangled states.

二、提出基于Λ型三能级原子与相干光场之间的大失谐相互作用的多原子纠缠态和多腔场纠缠相干态的制备物理方案。

The charge distribution result shows that the carbon is easy to get electron, and the nitrogen with lone pair electrons in the amino group is the electrophilic reaction site.

电荷分布方面,三聚氰胺分子上的碳原子易得电子为亲核试剂进攻点,而胺基上的氮原子因含孤对电子是亲电反应中心。

In chapter 2 and 3, experimentally, using the Angular-Resolved high-resolution fast Electron Energy Loss Spectrometer , at the condition of 2. 5 keV incident energy and 50-60 meV energy resolution, we measured the Optical Oscillator Strength Density Spectra for the excitations of 4p, 4s or 3d electron. The oscillator strengths for excitations of the valent shell 4p electron were obtained, and comparisons were done between presently experimental and previously experimental and theoretical results. The experimental results of different groups agree with each other approximately, but the semi-experientially theoretical results do not match with the experimental results. The delayed maximum in the photoabsorption spectra was discussed. It should arise from the transition of 4p→∈d. For the excitation of the inner-valent 4s electron, the discrepancies for the resonant structures in previous electron-impact results and photoionization results were clarified in present work, which confirms again that the fast electron impact method is suitable to measure the optical oscillator strengths. The autoionization Rydberg series 4s〓ns (n=5, 6, 7) and 4s〓nd (n=4, 5, 6, 7) were identified without ambiguity by the measurement at 0°, 2° and 4°scattering angles. The energy levels and natural widths of the excitations of Kr3d and Ar2p inner shell, including optically allowed and forbidden transitions, were determined. The widths of these inner shell excitations are nearly the same, which was interpreted by the Resonant Auger effect .

在第二章和第三章,实验上,使用角分辨的高能量分辨快电子能量损失谱仪,在2.5keV电子入射能量和50-60meV能量分辨下,测量了Kr原子由价壳层4p到内价壳层4s,再到内壳层3d电子激发的光学振子强度密度谱;得到了价壳层4p电子激发束缚态的光学振子强度,与前人实验和半经验理论结果作了细致的比较,说明几家实验是比较符合的,但半经验的理论计算存在问题;分析了光吸收谱中的延迟极大现象,说明在第一电离阈值以上几个eV范围内的极大值源于4p→εd跃迁产生的延迟极大;对于内价壳层4s激发的自电离区,澄清了前人实验中电子碰撞方法和光学方法在共振结构上存在差异的问题,再一次肯定了快电子碰撞方法是获得绝对光学振子强度的一种好方法;通过在非0°散射角的测量(如2°和4°),清楚地标识了4s电子激发的光学禁戒跃迁自电离里德堡系列4s〓ns(n=5,6,7)和4s〓nd(n=4,5,6,7);通过在0°和4°散射角的测量,观测并标识了几个新的内壳层光学禁戒跃迁能级,得到了Kr原子3d和Ar原子2p内壳层激发态(包括光学允许和禁戒跃迁形成的)的能级位置和自然宽度,用共振俄歇效应解释了这些内壳层激发态(不管是光学允许还是禁戒跃迁产生的)的自然宽度彼此比较接近的原因。

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