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State-of-the-art differential cross sections (DCSs) have been reported by Wang et al. [Proc. Nat. Acad. Sci. (U.S.), 2008, 105, 6227] for the state-to-state F + H(2)→ FH + H reaction using fully quantum-state-selected crossed molecular beams. We theoretically analyze the angular scattering of this reaction, in order to quantitatively understand the physical content of structure in the DCSs. Three transitions are studied, v(i)=0, j(i)=0, m(i)=0 → v(f)=3, j(f)=0, 1, 2, m(f)=0 at a translational energy of 0.04088 eV, where v, j, m are the vibrational, rotational and helicity quantum numbers respectively for the initial and final states. The input to our analyses consists of accurate quantum scattering (S) matrix elements computed for the Fu-Xu-Zhang potential energy surface, as used by Wang et al. in a computational simulation of their experimental DCSs. We prove that the pronounced peak at forward angles observed in the experimental and simulated DCSs for all three transitions is a glory. At larger angles, it is demonstrated that the 000 → 300 and 000 → 310 DCSs both possess a broad farside rainbow, which is accompanied by diffraction oscillations. We confirm the conjecture of Wang et al. that these diffraction oscillations arise from nearside-farside (NF) interference. We find that the reaction is N dominant for all three transitions. The theoretical techniques used to analyze the angular scattering include uniform semiclassical theories of glory and of rainbow scattering. We also make the first application of a semiclassical formula that is uniform for both glory + rainbow scattering. In addition, structure in the DCSs is analyzed using NF theory and local angular momentum theory, in both cases with three resummations of the partial wave series for the scattering amplitude. We make the first explicit application of the Thiele rational interpolation formula to extract the position and residue of the leading Regge pole from a set of S matrix elements, thereby making contact with complex angular momentum theories of DCSs, which interpret the angular scattering in terms of Regge resonances. Our calculations complement the exit-valley vibrationally-adiabatic analysis of Wang et al. 相似文献
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We could prepare highly electrically conducting graphitic carbon films and nano patterns by carbonizing the poly(p-phenylenevinylene) (PPV) films and nano patterns prepared on the silicon surface by the chemical vapor deposition polymerization method of α,α'-dichloro-p-xylene. When the PPV films on silicon wafers were thermally treated at 850°C highly oriented graphitic carbon films were obtained which exhibit an electrical conductivity higher than 0.7 x 103 Scm−1. This conductivity value is more than 10 times the value for the carbon films obtained from bulk PPV films or glassy carbons heat treated at the same temperature. Moreover, nano patterns of graphitic carbons were easily obtained on silicon wafers through carbonization of nano patterned PPV obtained by the CVD polymerization method. 相似文献
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The technique of local angular momentum-local impact parameter (LAM-LIP) analysis has recently been shown to provide valuable dynamical information on the angular scattering of chemical reactions under semiclassical conditions. The LAM-LIP technique exploits a nearside-farside (NF) decomposition of the scattering amplitude, which is assumed to be a Legendre partial wave series. In this paper, we derive the "fundamental NF LAM identity," which relates the full LAM to the NF LAMs (there is a similar identity for the LIP case). Two derivations are presented. The first uses complex variable techniques, while the second exploits an analogy between the motion of the scattering amplitude in the Argand plane with changing angle and the classical mechanical motion of a particle in a plane with changing time. Alternative forms of the fundamental LAM-LIP identity are described, one of which gives rise to a CLAM-CLIP plot, where CLAM denotes (Cross section) x LAM and CLIP denotes (Cross section) x LIP. Applications of the NF LAM theory, together with CLAM plots, are reported for state-to-state transitions of the benchmark reactions F+H2-->FH+H, H+D2-->HD+D, and Cl+HCl-->ClH+Cl, using as input both numerical and parametrized scattering matrix elements. We use the fundamental LAM identity to explain the important empirical observation that a NF cross section analysis and a NF LAM analysis provide consistent (and complementary) information on the dynamics of chemical reactions. 相似文献
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1990年Kratschmer[1,2]等人实现了C60和C70的宏观量制备后,有关fullerene的化学研究迅速展开[3-5].业已发现C60具有极为丰富的化学性质.在对C60化学性质的认识过程中,气相离子化学一直起着重要的作用[6].Roth等人[7]在ICR质谱仪中,制得了C60外部键合金属的衍生物C60M+;Caldwell及合作者[8]在质谱仪上,利用高动能的C60与轻气体(He,Ne,H2,D2)碰撞,得到了笼内包含轻气体原子的C60;Bohme[9,10]等人在流动后辉光质谱仪上,系统地研究了C60的单、双、三电荷离子与多种有机物的反应,获得了相应的C60加合… 相似文献
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有机硅/蒙脱土复合改性聚氨酯弹性体的制备和性能 总被引:1,自引:0,他引:1
采用先将聚醚三元醇N330与有机蒙脱土(OMMT)研磨,制得N330/OMMT复合物,再将其与有机硅改性聚氨酯的预聚体混合的方法,以二甲硫基甲苯二胺(DMTDA)为固化剂,制备了有机硅/蒙脱土复合改性聚氨酯弹性体,并用FTIR对产物结构进行了表征.XRD和TEM表明,蒙脱土片层被撑开,并分散在基体中;SEM显示,加入蒙脱土后,有机硅与聚氨酯之间的相容性提高;TGA表明,有机硅和OMMT共同改性聚氨酯后,其耐热性比有机硅单一改性聚氨酯有所提高,并在OMMT含量为5 wt%时提高最大;DSC数据表明,在OMMT含量为5 wt%时,有机硅/蒙脱土复合改性聚氨酯弹性体的Tg明显升高.复合改性材料具有良好的表面性能和力学性能,其拉伸强度、断裂伸长率和硬度在OMMT含量为3 wt%时达到最大值. 相似文献
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YL Wang YL Jiang ZJ Xiahou JH Fu QY Liu 《Dalton transactions (Cambridge, England : 2003)》2012,41(37):11428-11437
Six lanthanide(iii)-2,5-dihydroxy-1,4-benzenedicarboxylate frameworks, namely, [Ln(H(2)-DHBDC)(1.5)(H(2)O)(2)](n) (Ln = La (1) and Pr (2); H(4)-DHBDC = 2,5-dihydroxy-1,4-benzenedicarboxylic acid), {[Nd(H(2)-DHBDC)(1.5)(H(2)O)(3)](H(2)O)}(n) (3), {[Eu(H(2)-DHBDC)(NO(3))(H(2)O)(4)](H(2)O)(2)}(n) (4), and {[Ln(2)(H(2)-DHBDC)(2)(DHBDC)(0.5)(H(2)O)(3)](H(2)O)(4)}(n) (Ln = Gd (5) and Dy (6)), with four different structural types ranging from 1D chain, 2D layer to 3D networks have been synthesized and structurally characterized. Compounds La (1) and Pr (2) are isomorphous and exhibit 3D frameworks with the unique 1D tubular channels. Compounds Nd (3) and Eu (4) are 2D layer and 1D zigzag chain, respectively, which are further extended to 3D supramolecular frameworks through extensive hydrogen bonds. Isomorphous compounds of Gd (5) and Dy (6) are 3D frameworks constructed from secondary infinite rod-shaped metal-carboxylate/hydroxyl building blocks. While the hydroxyl groups as secondary functional groups in the 1D chain of Eu (4) and 2D layer of Nd (3) are not bonded to the lanthanide centers, the hydroxyl groups in the 3D frameworks of La (1), Pr (2), Gd (5), and Dy (6) participate in coordinating to lanthanide centers and thus modify the structural types of theses compounds. The magnetic data of compounds Pr (2), Nd (3), Gd (5), and Dy (6) have been investigated in detail. In addition, elemental analysis, IR spectra, powder X-ray diffraction (PXRD) patterns and thermogravimetric analysis of these compounds are described. 相似文献
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为分析白英药效与微量元素的关系,样品经微波消解,采用火焰原子吸收法测定了白英中Fe、Cu、Zn、Mn、Mg、Ca的含量。结果表明,该法快速、简便、准确,6种元素的回收率为98.00%~103.60%,RSD为0.326%-1.216%。白英中Ca、Fe元素含量较高。 相似文献
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Two cadmium(II) coordination polymers, namely, [Cd3(m‐phth)2(atz)2]n ( 1 ) (m‐phth = m‐phthalate and atz = 3‐amino‐1,2,4‐triazolate) and [Cd(atphth)(H2O)]n ( 2 ) (atphth = 2‐aminoterephthalate), were synthesized and structurally characterized. Compound 1 features a three‐dimensional (3D) pillared framework based on two‐dimensional (2D) cadmium‐benzenedicarboxylate ladders pillared by the triazolate ligands. Compound 2 has a 3D framework constructed from 2D cadmium‐benzenedicarboxylate layers, which are further linked by Cd–N bonds between the cadmium ions and amino groups of the atphth2– ligands of the adjacent layers to form the final 3D structure. Compounds 1 and 2 exhibit solid‐state photoluminescence with emission maxima at 448 and 470 nm, respectively. 相似文献