Chemical bonding in isolated molecules and crystals of zwitterionic pentacoordinate silicon chelates

The electronic structures of a number of zwitterionic pentacoordinate silicon chelates were investigated using the results of X-ray diffraction studies and quantum-chemical calculatoins by the MPW1PW91/6-311G(d) method. The topological analysis of the electron density distribution function and the study in the framework of the natural bond orbital partitioning scheme showed that the character of chemical bonding in the axial fragments of the molecules under consideration changes from dative to three-center, four-electron as the silicon atom assumes a trigonal-bipyramidal coordination.     

低潮时期宽带网建设需要注意的问题

宽带建设低潮期实际上是一次优胜劣汰的过程,宽带运营竞争的手段将由低价竞争转向服务质量和特色的竞争。应在重视宽带接入建设的同时,也要重视业务运营管理平台的建设。应从长远考虑,不应仅为了节省投资而降低对设备的要求。由于降低成本的主要方向是在线缆部分,因此EVDSL技术应用的速度将大大超过人们的预期。在网络建设上,IPDSLAM虽有优势但也有不足,还需要进一步的成熟、稳定和实践的检验。     

多孔硅发光二极管的载流子传输特性研究

制备AI／多孔硅／c-Si／Al结构的多孔硅发光二极管，利用其I-V特性关系，以及在不同温度下其I-V特性的变化，结合多孔硅的特殊微结构及性质，分析了多孔硅发光二极管中载流子的产生和传输过程；通过比较其发光猝灭前后I-V特性的变化，解释了发光猝灭的原因。提出了如果在低电场下能够实现大量载流子在限制性Si微粒中复合．是提高多孔硅电致发光效率的一个途径。     

液晶光阀光电导层光吸收系数的研究

用化学气相沉积法制备了液晶光阀中光电导层———非晶硅薄膜,从实验中得出最佳制备工艺的参数取值。给出了用包络线法测量非晶硅薄膜光吸收系数的原理,测量了样品的光吸收系数随波长的变化规律。得到样品在最佳工艺条件下的光吸收系数高于1×103cm-1。     

有源光放大器链路中交叉相位调制的不稳定性

利用两种方法研究了有源放大器波分复用系统光纤链路中交叉 相位调制的不稳定性．首先利用非线性薛定谔耦合方程，在小幅度扰动下，研究了正常色散 和反常色散光纤中的交叉相位调制不稳定性. 由于相位噪声涨落，利用分裂步长傅里叶 变换法与Monte-Carlo法，模拟了有源放大器链路中反常色散和正常色散情况下的调制不稳定性. 两种方法得到的结论基本一致. 关键词： 调制不稳定性 交叉相位调制 斯托克斯带 反斯托克斯 带     

硅基两维光子晶体的制备和光子带隙特性

利用反应离子束刻蚀设备制备了硅基的两维空气柱光子晶体，并用红外显微镜测试了样品的 反射谱. 理论上用时域有限差分(FDTD)方法计算了样品的光子带隙，从测试结果看光子带隙 和理论计算的光子带隙符合得很好.  关键词： 光子晶体 光子带隙 反射谱 时域有限差方法     

微波宽频带功率负载的研究

介绍了５００Ｗ宽频带功率负载的设计及实验结果，并将研究成果扩展到１０～１０００Ｗ范围。负载主要技术指标：输入阻抗５０Ω，频带宽度０～１０００ＭＨｚ，电压驻波比≤１．１．表面最高温升△ｔ≤１００℃。     

Assignment of conformation-sensitive near-infrared bands in high-spin ferrous haemoproteins. Low-temperature magnetic circular dichroism data

An assignment of the near-infrared bands in the 600–800 nm spectral region observed in magnetic circular dichroism (MCD) spectra of high-spin ferrous haemoproteins is presented. The assignment is based on a relative energy level scheme for iron d-electrons, a comparison of predicted and measured temperature dependences of MCD intensity, a sign of MCD bands and a group theoretical analysis of allowed transitions. The proposed assignment is consistent with the ∼15-nm red shift of the ∼760 nm band on breakage of the Fe-His bond in deoxy-myoglobin at low pH, with low-temperature photolysis experiments available for CO complexes of several haemoproteins. In accordance with the observations, the intensity of the MCD bands for proteins with a sulphur anion of cysteine as proximal haemligand (cytochrome P450 and chloroperoxidase) is predicted to be diminished by at least one order of magnitude compared to that for proteins with an imidazole of a histidine as a protein-derived haemligand (i.e. myoglobin, haemoglobin and horseradish peroxidase). Received: 4 February 1997 / Accepted: 1 May 1997     

特征提取在硅内部微/纳米级体缺陷检测中的应用

提出了一种利用特征提取来对硅中微/纳米级体缺陷的激光散射图样进行分析,以获得缺陷大小信息的分析方法.给出了该方法中第一特征值和第二特征值的定义,指出通过所提出的第一特征值及第二特征值即可迅速地判断出缺陷的大小量级所在.这种分析方法具有分析速度快,在体缺陷小于1μm时分辨率高,且可使系统实现自动化等优点.     

Chemical reactivity of hypervalent silicon compounds: The local hard and soft acids and bases principle viewpoint

The silicon atom may increase its coordination number to values greater than four, to form pentacoordinated compounds. It has been observed experimentally that, in general, pentacoordinated compounds show greater reactivity than tetracoordinated compounds. In this work, density functional theory is used to calculate the global softness and the condensed softness of the silicon atom for SiH _n F_4−n and SiH _n F _5−n ¹⁻ . The values obtained show that the global and condensed softness are greater in the pentacoordinated compounds than in the tetracoordinated compounds, a result that explains the enhanced reactivity. If the results are analysed through a local version of the hard and soft acids and bases principle, it is possible to suggest that in nucleophilic substitution reactions, soft nucleophiles preferably react with SiH _n F _5−n ¹⁻ , and hard nucleophiles with SiH _n F_4−n .