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Variable-energy valence and inner-valence photoelectron spectra have been recorded for the CpNiNO complex (Cp = eta(5)-C(5)H(5)) between 21.2 and 100 eV, using He I radiation and synchrotron radiation. The ground state electronic structure has been calculated by using the Xalpha-SW method. Photoionization cross sections (sigma) have also been calculated for the valence ionizations using the Xalpha-SW method. The theoretical branching ratios (sigma(i)/ summation operatorsigma) have been compared with the observed branching ratios (A(i)()/ summation operatorA) between 21.2 and 100 eV. The assignment of the photoelectron spectrum based on the analysis of intensity variations and width of vibrational peaks is consistent with the ion state orbital ordering 5e(1)(1) < 7a(1)(2) < 3e(2)(3) < 4e(1)(4) (band numbers are in parentheses) and is inconsistent with another recently proposed ordering 5e(1)(1), 5e(1)(2) < 7a(1), 3e(2)(3) < 4e(1)(4), which takes the 5e(1) vibronic effects into consideration. The experimental branching ratio results indicate a Ni 3p resonance effect around 75 eV in the photoionization process. The inner-valence spectrum has also been assigned with the aid of the Xalpha-SW calculations. 相似文献
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Ser Peow Tan 《Geometriae Dedicata》1996,62(2):209-225
Let M be a compact orientable surface with nonempty boundary (x(M)<0) and fundamental group . Let be a geodesic on M (with a fixed hyperbolic structure), and let W be a (cyclically reduced) word in a fixed set
of generators of which represents . In this paper, we give an algorithm to count the number of self-intersections of in terms of W, generalizing a result of Birman and Series, where an algorithm was given to decide if was simple. Some applications of the algorithm to surfaces with one boundary and the Markoff spectrum are also given. 相似文献
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低碳烃芳构化过程中HZSM-5催化剂结炭规律的研究 总被引:3,自引:0,他引:3
用GC、TPO-GC、NH_3-TPD和TEM等方法,测定了丙烷在HZSM-5沸石上芳构化过程中,催化剂的活性、结炭量、结炭C/H比、酸密度等,考察了催化剂的结炭量与其它参数之间的关系。结果表明,在反应温度为873K,进料空速WHSV=5h ̄(-1)时,丙烷在HzSM-5上的结炭首先发生在沸石晶体的外表面的活性中心上(结炭量1.8%之前);结炭量为1.8~3.4%时,主要在孔道交叉点结炭;结炭量在3.4~5.7%时,孔道已有受限或阻塞现象发生,导致一些富氢的结炭物在孔道内生成。 相似文献
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A facile and environment friendly approach was developed to graft vinyl acetate (VAc) onto plastic articles in an aqueous solution using tert‐butyl alcohol (TBA) as a compatiblizer and benzoyl peroxide (BPO) as an initiator. In a novel setup, excessive monomer suspended in a water phase, VAc could be conveniently grafted on the model substrate of low‐density polyethylene (LDPE) film and the graft percentage (GP) could be developed up to 7.3%. Reaction temperature could increase GP significantly, while adding monomer over a critical volume did not influence GP. By adding some paradioxybenzene, i.e. 0.06–0.08% in VAc phase, homopolymer PVAc could be avoided practically, while graft polymerization proceeded favorably in aqueous solutions. It was proved by attenuated total reflection‐infrared (ATR‐IR) spectroscopy that grafted VAc was located mainly at the surface of the LDPE film and hydrophilic nature of both grafted and alcoholyzed films were improved via contact angle measurements. Copyright © 2004 John Wiley & Sons, Ltd. 相似文献