异吲唑硝基取代衍生物的HeI_α光电子能谱——“轨道换向”现象的又一例证

本文记录了异吲唑(1a)、3-溴异吲唑(2a)及其各自的四个硝基衍生物1b～e、2b～e的HeI_a光电子能谱.由于硝基使最低π~(-1)电离能I_1~m、I_2~m向较高值位移,但位移量ΔI_1~m、ΔI_2~m的大小与硝基取代位置无明显关系.上述结果与用微扰法处理所得的不同,故而被解释为“轨道换向.     

异吲唑硝基取代衍生物的HEI2光电子能谱——-"轨道换向"现象的又一例证

The HeIα PES of indazole (1a), 3-bromoindazole (2a) and their isomeric nitro derivatives 1b-e and 2b-e have been recorded. It has been found that the lowest π^-^1 ionization energies (I1)^m, (I2)^m are moved towards higher energies under the influence of the nitro group, but that there is no significant dependence of the size of the shifts (ΔI1)^m, (ΔI2)^m on the position of the group. The result, which is at variance with the predications derived from a naive perturbation treatment based on the π orbitals of 1a, has been explained as being due to "orbital switching" in the substituted derivatives.     

氧化铜和聚磷酸铵对聚酰胺6热降解行为的影响

氧化铜和聚磷酸铵对聚酰胺6热降解行为的影响     

石墨氧化过程的XRD/XPS研究

石墨用强氧化剂如硝酸、高氯酸、氯酸钾或高锰酸钾等处理后,在石墨层间形成一种没有化学计量的层间化合物,通常叫做氧化石墨,又称石墨酸犤1犦。氧化石墨的研究历史可追溯到1855年犤2犦,期间,有关氧化石墨的制备及表征的报导获得了广泛的重视。就目前的研究现状而言,普遍认为化学法制备的氧化石墨中存在羟基、环氧官能团和双键结构犤3犦,这一结果已经得到广泛的证实,如FTIR犤4犦结果表明氧化石墨中含有C-OH、-OH、C=O等基团,13CNMR犤5犦也检测到与醚或羟基相联的碳原子,并发现sp2杂化的碳原子,元素分析的结果表明犤6犦,氧化石墨中的C/…     

多硝基化合物分子内电荷转移(CT)现象的XPS研究——Ⅱ.苯并氧化呋咱类(benzofuroxans)硝基衍生物电子结构的探讨

本文对10种苯并氧化呋咱及其衍生物的XPS谱做了系统的分析。发现E_b~*值与分子内CT作用间存在良好的相关关系,并获得了CNDO/2理论计算的有力支持。此外,XPS结合能的分析可为了解氧化呋咱电子结构提供重要信息。     

MECHANISTIC STUDY OF POLYNITROCOMPOUNDS BY XPS——MECHANISM OF THE THERMAL DECOMPOSITION OF POLYNITROPHENOLS

The subject-matter described in the paper reveals the importance of the hydroxyl groups within the molecules of polynitrophenols in the process of the thermal decomposition as studied by XPS (ESCA). It is evident that theintramolecular charge transfer with drastic change during the time of the thermal decomposition can be envisaged as an indicator capable of following the reaction process. The present work shows that combining with CNDO/2 SCF MO model XPS data allow information to be derived reasonably on the relative stability of nitrogen-containing species left in the surface of the energetic materials during decomposition.     

聚乙烯薄膜等离子体接枝甲基丙烯酸及阻燃性能的研究

以聚乙烯为基础,通过等离子体接枝方法接枝甲基丙烯酸.研究了接枝反应条件对接枝率的影响,并对接枝样品的阻燃性能进行了表征.接枝后样品的点燃时间明显延长,极限氧指数明显提高,成炭量明显增加,说明接枝后的侧基(-COOH,-COO^-Na⁺和-COO^-K⁺)在热降解过程中不仅自身参与成炭,而且大大促进了基体聚合物的成炭过程.