共查询到18条相似文献,搜索用时 78 毫秒
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3-氯-1,2-环氧丙烷的同步辐射光电离 总被引:1,自引:0,他引:1
杂环类化合物在自然界中分布十分广泛,且许多具有生物活性,它们大多数在生物的生长 发育、遗传和衰亡过程中起着关键的作用[1,2].含氧三元杂环体系是最基本、最简单的杂环化合 物,分子中的含氧三员环,具有很大的张力,且存在很强的极性共价键,使其易于发生定向开环 反应,具有高度反应性.利用光电高质谱法对这类分子进行光电离与光离解研究,可以获得这 类物质一些重要的物理化学数据. 我们已对环氧乙烷和环氧丙烷进行了光电离和光离解研究,并结合量化理论计算分析了 它们的光电离解离通道[3,4],3-氯-1,2-环氧丙… 相似文献
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采用50~200nm同步辐射光,对CH2Br2的光电离过程进行了研究,根据测定的母体离子及其碎片离子出现势,得到二溴甲烷的绝热电离势为10.23±0.01eV,并获得了离子的生成焓,解离能及键能等热力学数据,分析了碎片离子的光解离电离通道。 相似文献
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对硝基甲苯的同步辐射光电离研究 总被引:2,自引:0,他引:2
光电离对硝基甲苯(PNT)可获得其电离势及碎片离子的出现势,并由此推断出离子产生的可能通道.目前尚未见到有关PNT光电离研究的报道,仅George等[‘j使用电子轰击电离质谱测得过它的电离势.我们使用同步辐射光电离质谱测得了PNT的电离势和8种碎片离子的出现势,给出了飞行时间(TOF)质谱图,归属了质谱中的主要离子峰,初步分析了光解离电离通道.1实验部分实验装置由阈值光电子一光离子符合(TPEPICO)装置改造而成[’,’],光电离室上方的四极质谱计由TOF质谱计代替,下方的四极质谱计由盛固体样品的小炉取代.样品蒸… 相似文献
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The vacuum ultraviolet photoionization of ferrocene has been studied by using synchrotron radiation and a time-of-flight(TOF)mass spectrometer. The photoionization TOF mass spectrum and photoionization efficiency (PIE)curves of some ions were measured. VUV absorption by ferrocene results in Fe(C5H5)2+,FeC5H5+,Fe+,FeC3H3+,FeC3H+,C10H9+,C10H8+ and C5H6+. The ionization potential(IP)of ferrocene is determined to be (6.78±0.05)eV. The appearance potential(AP)of the fragment FeC5H5+ was measured to be(13.40±0.10)eV. In addition,theoretical calculations with the density functional method B3LYP and the basis set 6-31G(d)have been carried out. The calculation result shows that the ionization potential of ferrocene is 6.16 eV,which is smaller than that from the experiment because the ionization potential from calculation is adiabatic value and the experimental result is vertical value. Due to the limited available computational cost,the case of the electron spin S=1/2 for Fe is only considered,which may lead to some low precision in calculation. So the calculation result is just as references. The appearance potential of FeC5H5+ is 12.17 eV,which is also smaller than the experimental value. According to the experimental and calculation results,the bond energies of D0(FeC5H5+-C5H5),D0(Fe+-C5H5),D0(C5H5-Fe+-C5H5)have been evaluated and the possible channels of dissociation photoionization have been analyzed. Sequential elimination of C5H5 ligands is a major dissociation channel,but concerted elimination of two C5H5 ligands also takes place. 相似文献
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氯乙烯的同步幅射光电离及C-H和C-CI键离解能的测定 总被引:1,自引:0,他引:1
利用同步辐射对C~2H~2CI进行了光电研究,得到了电离势IP(C~2H~2CI)为10.03±0.01eV及其碎片的光电离出现势,导出了离解能D~0(C~2H~2CI-H),D~0(C~2H~2CI^+-H),D~0(C~2H~2CI-H^+),D~0(C~2H~2-CI)和D~0(C~2H~3^+-CI),它们的值分别为5.09±0.05,5.02±0.08,8.66±0.05,3.64±0.10和2.56±0.05eV. 相似文献
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对铀的几个络合物的配位键和Van der Waals能之间的平衡进行分析研究,发现在配位原子间配合键能和最大Van der Waals引力能几乎一致,这有力地支持了堆积模型将成为这一模型进一步发展的基础. 相似文献
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An analysis of thermochemical and kinetic data on the bromination of the halomethanes CH4–nXn (X = F, Cl, Br; n = 1–3), the two chlorofluoromethanes, CH2FCl and CHFCl2, and CH4, shows that the recently reported heats of formation of the radicals CH2Cl, CHCl2, CHBr2, and CFCl2, and the C? H bond dissociation energies in the matching halomethanes are not compatible with the activation energies for the corresponding reverse reactions. From the observed trends in CH4 and the other halomethanes, the following revised ΔH°f,298 (R) values have been derived: ΔH°f(CH2Cl) = 29.1 ± 1.0, ΔH°f(CHCl2) = 23.5 ± 1.2, ΔHf(CH2Br) = 40.4 ± 1.0, ΔH°f(CHBr2) = 45.0 ± 2.2, and ΔH°f(CFCl2) = ?21.3 ± 2.4 kcal mol?1. The previously unavailable radical heat of formation, ΔH°f(CHFCl) = ?14.5 ± 2.4 kcal mol?1 has also been deduced. These values are used with the heats of formation of the parent compounds from the literature to evaluate C? H and C? X bond dissociation energies in CH3Cl, CH2Cl2, CH3Br, CH2Br2, CH2FCl, and CHFCl2. 相似文献
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T. Montenay-Garestier J. C. Brochon C. Hlne 《International journal of quantum chemistry》1981,20(1):41-48
Synchrotron radiation has been used to determine the fluorescence decay parameters of a tryptophan-containing oligopeptide, Lys-Trp-Lys, bound to nucleic acids. All fluorescence decay curves can be fitted by a sum of two exponentials. The two lifetimes very likely correspond to two conformational states of the oligopeptide. The mean fluorescence lifetime of the peptide is not markedly affected upon binding to nucleic acids even though the fluorescence quantum yield is strongly reduced. A model is presented that accounts for the existing fluorescence data: two consecutive complexes are formed both involving electrostatic interactions. In one of the complexes the tryptophyl ring is stacked with the nucleic acid bases and its fluorescence is completely quenched. The other complex emits a fluorescence having characteristics which are similar to those of the free peptide. 相似文献