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81.
Ren Yanliang Cheng Lin Wan Jian Li Yongjian Liu Junjun Yang Guangfu Zhang Lihua Yang Song 《中国科学B辑(英文版)》2006,49(1):88-96
The electronic singlet vertical excited states of photosynthetic reaction center (PSRC) in Rhodopseudomonas (Rps.) viridis were investigated by ZINDO and INDO/S methods. The effects of the interactions of pigment-pigment and pigment-protein on
the electronic excitations were examined. The calculation results showed that the interactions of pigment-pigment and pigment-protein
play an important role in reasonably assigning the experimental absorption and circular dichroism (CD) spectra of PSRC in
Rps. virids. By comparing the theoretically computed excited states with the experimental absorption and CD spectra, satisfactory assignments
of the experimental spectroscopic peaks were achieved. 相似文献
82.
1 INTRODUCTION In 1984, thiolate ligand was successfully introduced into molybdenum carbonyl compound by the reaction of Mo(CO)6 with [Et4N]SR( R = C6H5, But) in a moderate condition[1]. From then on, a series of dinuclear molybdenum(0) carbonyl thiolate compounds have been synthesized and characterized by using a variety of thiolate ligands in our research group. It was found that a planar Mo2S2 unit is in the compound [Et4N]2[Mo2(CO)8(SC6H4-CH_3-p)2][2] (2) and a "butterfly" t… 相似文献
83.
摘要运用多参考微扰理论(Multireference MΦller-Plesset theory)计算了SSCH3垂直激发能及其S-C与S-S两种断键方式的绝热(Adiabatic)与非绝热(Diabatic)的基态和激发态势能曲线, 研究了在193nm激光作用下SSCH3的光解离过程, 理论计算值与实验值相符. 相似文献
84.
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86.
A new compound of 4,4'-diamino-N,N'-diethyl bisbenzenesulfamide (C18H26N4O4S2,Fw = 426.55) has been synthesized and its structure was determined by X-ray crystallography method. The crystal belongs to the monoclinic system, space group P21/c with a = 10.0623(9), b =13.6759(13), c =15.5309(14) (A),β = 100.482(2)°, V= 2101.6(3)(A)3, Dc = 1.348 g/cm3, F(000) = 904,μ = 0.285 mm-1, Z = 4, the final R = 0.0512 and wR = 0.1363 for 3485 observed reflections with I >2σ(Ⅰ). The structure of the title compound is pseudo secondary axisymmetric, and the two sulfamide-groups show distorted tetrahedral configurations. 相似文献
87.
Shidong Fei Jinhua Chen Shouzhuo Yao Guohong Deng Lihua Nie Yafei Kuang 《Journal of Solid State Electrochemistry》2005,9(7):498-503
Electroreduction of -glucose to form sorbitol on Zn/CNTs and Zn alloy/CNTs electrodes has been investigated in this paper. Carbon nanotubes (CNTs) used in this paper are grown directly on graphite disks by chemical vapor deposition. Zn and Zn alloy are electrodeposited on the activated CNTs/graphite electrode by pulse galvanostatic method. The micrographs of Zn/CNTs and Zn alloy/CNTs electrodes are characterized by scanning electron microscopy. The results show that the current efficiency of -glucose reduction on CNTs electrodes is much better than that on flat Zn electrodes. The order of the current efficiency on different electrodes is as follows: Zn/CNT (0.58) Zn–Fe/CNT (0.57)>Zn–Ni/CNT (0.43) Zn/graphite (0.42)>Zn (0.40). It indicates that CNTs have good potential application in electrosynthesis. Additionally, effects of some operating parameters, such as pH, temperature and -glucose concentration, on the current efficiency of -glucose reduction are also discussed. 相似文献
88.
根据活性亚结构拼接原理,以ε-己内酯和硫代对称二氨基脲为基体,制得中间体3-(5-羟戊基)-4-氨基-5-巯基-1,2,4-三唑,再与ω-卤代芳基乙酮反应合成了8个新的3-(5-羟戊基)-6-芳香基-7H-1,2,4-三唑并[3,4-b][1,3,4]噻二嗪类化合物,其结构经1H NMR、 13C NMR、 IR和元素表征。采用室内培养皿法考察了化合物的植物生长调节活性。结果表明: 3a~3h对双子叶萝卜茎和单子叶小麦茎的生长均有显著的抑制作用,浓度为10 mg·L-1时,抑制率为50%~69%,浓度为50 mg·L-1时,抑制率达到88%以上,3c对两种植物茎生长的抑制率均达到100%。 相似文献
89.
结晶聚合物的辐射效应:多官能团单体对LDPE的结晶成核作用 总被引:1,自引:2,他引:1
根据x射线、电镜、DSC和凝胶分数的测试结果,讨论了多官能团单体结构对低密度聚乙烯聚集态结构的影响以及结晶度与辐射交联(或剂量)的关系。发现由于单体的存在导致低密度聚乙烯结晶度增加而结晶尺寸变小(即结晶成核效应);成核效应越大,增强辐射交联的效果也越大。添加具有高结晶成核作用的单体有利于低密度聚乙烯的辐射交联,同时也加速其结晶结构的破坏。 相似文献
90.
The growth of cobalt hexacyanoferrate (CoHCF) films on bare and Au-colloid-modified electrodes in nitrate or sulfate solutions was monitored by electrochemical quartz crystal microbalance. The average efficiency of CoHCF film growth for Au colloid modified electrodes is 23 and 12 ng cm(-2) s(-1) in KNO3 and K2SO4 solutions, respectively, while those values for the bare gold electrode are 15 and 9 ng cm(-2) s(-1), respectively. In K2SO4 solution, the apparent molar masses for the Au-colloid-modified electrode at lower and higher potential is 58.4 and 37.3 g mol(-1), respectively, which is larger than those for the bare gold electrode (51.7 and 26.3 g mol(-1), respectively). The respective results were also obtained in KNO3 solution. Furthermore, the difference of the apparent molar masses at lower and higher potential for Au-colloid-modified electrodes is smaller than that for bare gold electrodes in the same electrolyte. Additionally, the mechanism of charge propagation is dependent on different anions in electrolyte solutions at higher potentials where the second redox reaction of CoHCF occurs. Therefore, the existence of Au colloids can accelerate CoHCF film growth and weaken the effect of anions on mass transport. 相似文献