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21.
利用密度泛函理论方法研究了IClO2异构化反应机理. 优化得到了七种异构体, 其中OIClO和IClOO还未见报道, 对各异构体的热力学稳定性进行了比较. 找到了异构化过程的过渡态, 并通过内禀反应坐标(IRC)计算确认了各个异构体之间的相互转化关系. 从量子拓扑学的角度, 对典型异构化反应通道IRC途径上的各点进行了电子密度拓扑分析, 讨论了反应过程中化学键的断裂、生成以及化学键的变化规律, 找到了反应途径上的能量过渡态(ETS)和结构过渡态(STS). 相似文献
22.
合成了锌(II)与3,4-吡啶二羧酸和1,10-邻菲啰啉形成的配位聚合物[Zn(PDC)(phen)]n (1) (H2PDC=3,4-吡啶二羧酸, phen=1,10-邻菲啰啉), 对其进行了元素分析、红外光谱和X射线单晶衍射表征, 测定了晶体结构. 该聚合物属单斜晶系, P2(1)/n空间群, a=0.77136 nm, b=1.9757(4) nm, c=1.0680(2) nm, β=95.36(3)°, V=1.6205(6) nm3, Z=4, Dc=1.683 Mg/m3, Mr=410.68, F(000)=832, μ=1.55 mm-1, 最终偏离因子R1=0.0608, wR2=0.0967. 该化合物中Zn原子与来自两个PDC的三个羧基氧原子, 另外一个PDC的吡啶氮原子, 以及phen的两个氮原子配位, 形成的ZnN3O3八面体通过PDC桥联形成二维层状网络结构. 此外还研究了该聚合物的热性质和荧光性质. 相似文献
23.
Fe(OH)2悬浮液在EDTA作用下氧气氧化生成δ-FeOOH的机理研究 总被引:1,自引:0,他引:1
At room temperature and in the presence of trace EDTA, the formation of δ-FeOOH was studied by the rapid oxidation of Fe(OH)2 suspension with O2. The structural and morphological changes were characterized by various techniques such as XRD, FTIR and TEM. γ-FeOOH and (δ-FeOOH) formed simutaneously in the early period of oxidation. But as the rate of mass transfer was in equilibrium, trace (γ-FeOOH) vanished gradually. Accordingly, pure phase δ-FeOOH was obtained. At the same time, critical amount ratio K of EDTA to Fe2+ was verified. The experiments show that the reactivity, rate of the oxidizing agent and pH of the initial medium were important factors for the formation of pure phase (δ-FeOOH). Under the auxiliary effect of EDTA, the reactivity of O2 was nearly improved to that of H2O2. And the process of the oxidation that Fe(OH)2 suspension was oxidized by O2 under that condition was discussed. 相似文献
24.
Nonisothermal kinetics of the solid‐solid phase transition in (n‐C10H21NH3)2ZnCl4(C10Zn), (n‐C16H33NH3)2ZnCl4(C16Zn) and their binary system were determined by Kissinger and Ozawa methods from DSC measurements. The activation energy Ea of the binary system shows a waving dependence on WC10Zn%, which is caused by not only an intermediate (C10H21NH3)(n‐C16H33NH3)ZnCl4 but also three solid solution ranges (α, β, γ) in the phase diagram of C10Zn‐C16Zn. The variations of the layer d‐spacing are also convenient for the above result. 相似文献
25.
芹菜中黄酮类物质的提取和测定 总被引:8,自引:0,他引:8
采用碱溶酸析法,成功地提取了芹菜中黄酮类物质。经HCl-镁粉反应和红外光谱鉴定,提取物为黄酮类物质。另外,利用分光光度法,以芦丁为标准对芹菜的叶和茎中的总黄酮分别进行了测定,其质量分数分别为10.19mg/g,3.064mg/g。同时讨论了时间及色素对测定方法的影响,结果表明,显色时间在40min内稳定,色素引起误差为5%。 相似文献
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In this work, the electrochemical behavior of ferrocene (Fc) was investigated by cyclic voltammetry (CV) in room temperature ionic liquids (RTILs) of 1‐ethyl‐3‐methylimidazolium tetrafluoroborate (EMIBF4) on glass carbon (GC), edge plane pyrolytic graphite (EPPG) and multi‐walled carbon nanotube (MWCNTs)‐modified EPPG electrodes, respectively. The results demonstrated that on GC electrode, pairs of well‐defined reversible peaks were observed, while for the electrode of EPPG, the peak potential separation (ΔEp) is obviously larger than the theoretical value of 59 mV, hinting that the electrode of EPPG is distinguished from the commonly used electrode, consistent with the previous proposition that EPPG has many “defects”. To obtain an improved electrochemical response, multi‐walled carbon nanotubes (MWCNTs) were modified on the electrode of EPPG; the increased peak current and promoted peak potential separation not only proved the existence of “defects” in MWCNTs, but also supported that “creating active points” on an electrode is the main contribution of MWCNTs. Initiating the electrochemical research of Fc on the MWCNTs‐modified EPPG electrode in RTILs and verifying the presence of “defects” on both EPPG and MWCNTs using cyclic voltammograms (CVs) of Fc obtained in RTILs of EMIBF4, is the main contribution of this preliminary work. 相似文献
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Cu以其优异的导电性、导热性和易加工性广泛用于工农业生产中.自然Cu的腐蚀和防腐成为人们很关注的问题.人们已经注意到,Cl-对Cu的腐蚀有影响,并进行过一些研究.但目前使用光电化学方法研究这一问题的文章尚不多见,特别是利用测量开路光电压及其瞬态波形这一现场的、无损的、灵敏的监测方法研究户对Cu电极腐蚀全过程的文章尚未见到.本文正是利用如上方法及XPS,AES方法,研究了Cl-对Cu电极腐蚀的全过程,取得了一些有意义的结果.1实验方法Cu电极用99.99%(质量分数)的Cu制成,面积约为39mm2;电极底部由Cu导线焊接引出,… 相似文献
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