ΔE与碱金属卤化物性质的关系

为了说明碱金属卤化物 (MX)气态时原子间距离小于晶体中原子间距离这种普遍现象 ,通过离子性数量 ,说明MX中也存在着一定的共价性 ,气态MX中原子间距小于晶体中原子间距正是由于共价键的贡献所致 .运用分子轨道理论 (MOT)和回归分析得出MX成键原子轨道 (BAO)能级差 (ΔE)与MX性质之间的线性关系式 :y =a +bΔE ,其中 y代表MX的性质诸如键长 ,键能 ,熔点 ,ΔfG m,ΔfH m等 ,a和b为特征常数 ,此式的线性相关系数为± (0 .985± 0 .0 15 ) ,计算结果与文献报道的实验值吻合良好 ,有 97%的相对偏差小于 4%

Research on Thermodynamic Properties of Polybrominated Diphenylamine by Neural Network

Based on the location of bromine substituents and conjugation matrix, a new substituent po- sition index ~X not only was defined, but also molecular shape indexes Km and electronega- tivity distance vectors Mm of diphenylamine and 209 kinds of polybrominated diphenylamine （PBDPA） molecules were calculated. Then the quantitative structure-property relationships （QSPR） among the thermodynamic properties of 210 organic pollutants and 0X, K3, M29, M36 were founded by Leaps-and-Bounds regression. Using the four structural parameters as input neurons of the artificial neural network, three satisfactory QSPR models with network structures of 4：21：1, 4：24：1, and 4：24：1 respectively, were achieved by the back-propagation algorithm. The total correlation coefficients R were 0.9999, 0.9997, and 0.9995 respectively and the standard errors S were 1.036, 1.469, and 1.510 respectively. The relative mean deviation between the predicted value and the experimental value of Sθ, AfHe and △fGθ- were 0.11%, 0.34% and 0.24% respectively, which indicated that the QSPR models had good stability and superior predictive ability. The results showed that there were good nonlinear correlations between the thermodynamic properties of PBDPAs and the four structural pa- rameters. Thus, it was concluded that the ANN models established by the new substituent position index were fully applicable to predict properties of PBDPAs.

Quantitative Traits of Ion Beam Induced Mutagenesis in Triticum aestivum

[Objective] The aim of this study was to elucidate the quantitative traits of plants mutagenized by ion beam. [Method] The particular variation phenotypes, a- gronomic traits, and protein and wet gluten contents of progenies derived from the same ion beam induced mutant were investigated. [Result] Morphological polymor- phism existed in some individuals. Plant height, spike length and protein content were significantly influenced by ion beam, and effective tiller number and wet gluten content were moderately influenced. Multiple comparisons of all the indices within groups indicated genomic instability among these groups. Coefficient of variation im- plied the differences within group were very low. [Conclusion] Ion beam irradiation displayed characteristics of multi-directivity and non-directiveness. It aroused multiple variations in the same mutant. Instability among progeny indicates cells had different fate even in the same irradiated tissue. It may take several generations for mutants to stabilize particular phenotypes. The effects of ion beam irradiation may be the in- terrelated direct irradiation damage, indirect irradiation damage and late effect, such as bystander effect and adaptive response.

Effect of Anions on Toxicity of Cadmium Applied to Microbial Biomass in Red Soil

A laboratory incubation experiment was conducted to elucidate the effects of associated anions on toxicity of cadmium applied to microbial biomass in the red soil. Cadmium was applied at six different levels, i.e., 0 (background), 5, 15, 30, 60 and 100 μg-1 soil in the form of either cadmium acetate or cadmium chloride.Application of cadmium as cadmium acetate markedly reduced the soil microbial biomass carbon compared to cadmium applied as cadmium chloride at all the tested levels. Similarly, organic carbon to biomass carbon ratio in the soil was markedly increased by increasing the level of the cadmium in the soil as cadmium acetate,while the change was much smaller in the case of cadmium chloride at the same cadmium levels. The results suggested that due consideration should be given to the source of cadmium while deciding the cadmium levels in experiments.

Using Ion-velocity Map Imaging Technique to Study Photodissociation of 2-Bromopentane

The photodissociation dynamics of 2-bromopentane at -234 nm has been investigated by utilizing ion-velocity map imaging technique. The mapped images of Br（2P3/2） （denoted as Br） and Br（2p1/2） （denoted as Br＊） fragments were analyzed by means of the speed and angular distributions, respectively. The speed distributions can be fitted with two Gaussian components which are correlated to the two independent reaction paths on the excited po- tential energy surfaces （PES）. The high-energy component is from the prompt dissociation along the C-Br stretching mode, while the low-energy one is related to the dissociation from the coupling of the C-Br stretching and bending modes. Relative quantum yield is measured to be 0.892 for Br in the photodissociation of 2-bromopentane at 234 nm. Combining the anisotropy parameter with the relative quantum yield of Br and Br fragments, the contributions of the excited 3Q0, 3Q1, and 1Q1 states to the products Br and Br were derived. The effect of alkyl branching on the mechanism of photodissociation was discussed by comparing the photodissociation processes of four isomers of bromopentane.

On the properties of some sets of von Neumann algebras under perturbation

Let L be a type II1 factor with separable predual and r be a normal faithful tracial state of c~. We first show that the set of subfactors of L with property F, the set of type II1 subfactors of L with similarity property and the set of all McDuff sub/actors of t are open and closed in the Hausdorff metric d2 induced by the trace norm; then we show that the set of all hyperfinite von Neumann subalgebras of L is closed in d2. We also consider the connection of perturbation of operator algebras under d2 with the fundamental group and the generator problem of type II1 factors. When M is a finite yon Neumann algebra with a normal faithful trace, the set of all von Neumann subalgebras B of M such that B ∪→ M is rigid is closed in the Hausdorff metric d2.