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1.
Alkynes cycloaddition reactions are powerful tools for constructing cyclic molecules with optimal atom efficiency, but these reactions cannot proceed at ambient temperature without transition-metal catalysts. In this work, a heterobimetallic complex featuring an Nb–Fe triple bond, Nb(iPrNPMe2)3Fe–PMe3, has been evaluated as the potential catalyst for acetylene cycloaddition, using density functional theory. The calculated results show that the singlet-state (i.e. ground-state) Nb(iPrNPMe2)3Fe–PMe3 can be applied to benzene synthesis, but is not suitable for cyclobutadiene. Benzene can be obtained easily at room temperature and is the unique product on the singlet potential surface. The irradiation of infrared-red light can drive the excitation of singlet Nb(iPrNPMe2)3Fe–PMe3 to its triplet state. Both benzene and cyclobutadiene can be formed on the triplet reaction potential surface due to their low energy barriers. Therefore, Nb(iPrNPMe2)3Fe–PMe3 is a potential high reactivity heterobimetallic catalyst for the cyclotrimerization of alkynes. In the reaction process, the catalytic active site of Nb(iPrNPMe2)3Fe–PMe3 moves from niobium to iron. 相似文献
2.
Polymethyl methacrylate (PMMA) is one of the most commonly used optical materials. However, the application of it in the area of optical communication is strongly limited by the intrinsic absorption loss of carbon-hydrogen stretching vibration. In this paper, we present a method to solve the problem by adopting the hollow-core fibers with cobweb cladding structure. The fibers use a single dielectric material and may solve the problem of structural support. Thus the feasibility of the “OmniGuide” fibers is improved, while a series of advantages of the “OmniGuide” hollow-core fiber are retained. It is promising that a fiber with low transmission loss, high bandwidth, large-core, and low costs can be designed and fabricated using PMMA. At the same time, a very broad range of the wavelengths (from visible to near infrared region, for instance, wavelengths at 0.65-1.12 μm, and even 1.30 μm, 1.54 μm and their neighbors) may be adopted for signal wavelength. 相似文献
3.
C.-G. Duan L.-H. Song L.-J. Huo G.-L. Li 《The European Physical Journal C - Particles and Fields》2003,29(4):557-561
The energy loss effect in nuclear matter, which is a nuclear effect apart from the nuclear effect on the parton distribution as in deep-inelastic scattering process, can be measured best by the nuclear dependence of the high energy nuclear Drell-Yan process. By means of the nuclear parton distribution studied only with lepton deep-inelastic scattering experimental data, the measured Drell-Yan production cross sections for 800 GeV proton incident on a variety of nuclear targets are analyzed within the Glauber framework which takes into account the energy loss of the beam proton. It is shown that the theoretical results with considering the energy loss effect are in good agreement with the FNAL E866 data.Arrival of the final proofs: 24 June 2003 相似文献
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5.
Shui Cao ZHENG Huo Nan LIN Di He HU 《数学学报(英文版)》2005,21(5):1137-1148
In this paper, we investigate the Hausdorff measure for level sets of N-parameter Rd-valued stable processes, and develop a means of seeking the exact Hausdorff measure function for level sets of N-parameter Rd-valued stable processes. We show that the exact Hausdorff measure function of level sets of N-parameter Rd-valued symmetric stable processes of index α is Ф(r) = r^N-d/α (log log l/r)d/α when Nα 〉 d. In addition, we obtain a sharp lower bound for the Hausdorff measure of level sets of general (N, d, α) strictly stable processes. 相似文献
6.
线性方程组通解并行数值方法 总被引:4,自引:0,他引:4
1预备知识 线性方程组消息传递MIMD算法是20世纪90年代至今的活跃课题,但尚无此问题 的通用有效算法发表.用!.}.}表示矩阵列分块划分,记AX=b为[AI司.定理1、2是文 {l]、[s]成果综述和推广. 定理i[‘]设有线性方程组!e}己l,e〔尺”“m,d〔R”“‘,rank(e)=r.当且仅当rank(! 相似文献
7.
利用BUU模型模拟核-核碰撞36Ar+108Ag(35Mev/u)、14N+108Ag(35MeV/u)中的平衡前中子发射.模拟结果与唯象的运动源拟合给出的中等速度源成份相吻合.这说明中等速度源成份产生于核-核碰撞的早期,对应平衡前发射.并从级联碰撞的角度定量地研究了平衡前发射的持续时间 相似文献
8.
Zhao‐Peng Deng Shan Gao Li‐Hua Huo Hui Zhao 《Acta Crystallographica. Section C, Structural Chemistry》2007,63(5):m225-m227
In the title complex, [Mn(SO4)(C3H7NO)(H2O)2]n, each MnII ion has a distorted octahedral geometry formed by three O atoms of three different sulfate groups, one O atom of a dimethylformamide ligand and two water molecules. The sulfate groups act as tridentate bridging ligands connecting the MnII ions into a two‐dimensional layer structure which can be regraded as a 4.82 network. 相似文献
9.
本文给出了分析多个相异性矩阵的三种方法.首先找到了一种图表示,使我们对所有相异性矩阵有一个总体的了解;其次定义了一个新的相异性矩阵,它可以看作是对所有原始相异性矩阵的一个折衷处理;最后提出了一种MIMU方法.在文中我们还对由上述方法得到的坐标图进行了比较. 相似文献
10.