Solvothermal Synthesis and Characterization of Sheet Structure Containing Adamantane [Hg2Sn2S10]8– Anions

Sheet Rb2HgSnS4 was synthesized solvothermally and characterized by X-ray single crystal diffraction. The compound is comprised of sheets with admantane-like [Hg2Sn2S10]8– units. The crystals belong to the space group C2/c, with the unit cell parameters a=1.1063(2) nm, b=1.1071(2) nm, c=1.5741(3) nm, a=90°, β=100.13(3)°, γ=90°. A reflectance spectroscopy study reveals the nature of the semiconductor with an energy of 2.1 eV for the compound.     

骨小梁材料特性对超声背散射信号的影响

基于时域有限差分法(FDTD)建立了松质骨的超声背散射仿真系统,研究了骨小梁材料特性对超声背散射信号的影响。首次得到松质骨中的超声背散射系数(BSC)和积分背散射系数(IBC)随骨小梁材料参数(密度、拉梅常数、黏度系数及声阻抗系数)的变化关系。研究结果表明,IBC随骨小梁密度的增加而增加;BSC和IBC随拉梅常数的增加而增加、随第一黏度系数的增加而近似线性地减小,第二黏度的变化对背散射信号的影响很小;背散射参数随阻抗系数的增加而减小。说明松质骨中的超声背散射特性不仅受骨矿密度(BMD)和骨微结构的影响,还与骨小梁的材料参数密切相关。研究结果有利于理解松质骨中超声的背散射特性,对松质骨骨质状况的评价有一定帮助。      

Ultrafast intramolecular charge transfer with N-(4-cyanophenyl)carbazole. Evidence for a LE precursor and dual LE + ICT fluorescence

The photophysics of N-(4-cyanophenyl)carbazole (NP4CN) was investigated by using absorption and fluorescence spectra, picosecond fluorescence decays, and femtosecond transient absorption. In the nonpolar n-hexane as well as in the polar solvent acetonitrile (MeCN), a locally excited (LE) state is detected, as a precursor for the intramolecular charge transfer (ICT) state. A LE → ICT reaction time τ(2) at 22 °C of 0.95 ps in ethyl cyanide (EtCN) and 0.32 ps in MeCN is determined from the decay of the LE excited state absorption (ESA) maximum around 620 nm. In the ESA spectrum of NP4CN in n-hexane at a pump-probe delay time of 100 ps, an important contribution of the LE band remains alongside the ICT band, in contrast to what is observed in EtCN and MeCN. This shows that a LE ? ICT equilibrium is established in this solvent and the ICT reaction time of 0.5 ps is equal to the reciprocal of the sum of the forward and backward ICT rate constants 1/(k(a) + k(d)). In the photostationary S(0) → S(n) absorption spectrum of NP4CN in n-hexane and MeCN, an additional CT absorption band appears, absent in the sum of the spectra of its electron donor (D) and acceptor (A) subgroups carbazole and benzonitrile. This CT band is located at an energy of ～4000 cm(-1) lower than for N-phenylcarbazole (NPC), due to the larger electron affinity of the benzonitrile moiety of NP4CN than the phenyl subunit of NPC. The fluorescence spectrum of NP4CN in n-hexane at 25 °C mainly consists of a structured LE emission, with a small ICT admixture, indicating that a LE → ICT reaction just starts to occur under these conditions. In di-n-pentyl ether (DPeE) and di-n-butyl ether (DBE), a LE emission is found upon cooling at the high-energy edge of the ICT fluorescence band, caused by the onset of dielectric solvent relaxation. This is not the case in more polar solvents, such as diethyl ether (DEE) and MeCN, in which a structureless ICT emission band fully overlaps the strongly quenched LE fluorescence. For the series of D/A molecules NPC, N-(4-fluorophenyl)carbazole (NP4F), N-[4-(trifluoromethyl)phenyl]carbazole (NP4CF), and NP4CN, with increasing electron affinity of their phenyl subgroup, an ICT emission in n-hexane 25 °C only is present for NP4CN, whereas in MeCN an ICT fluorescence is observed with NP4CF and NP4CN. The ICT fluorescence appears when for the energies E(ICT) of the ICT state and E(S(1)) of the lowest excited singlet state the condition E(ICT) ≤ E(S(1)) holds. E(ICT) is calculated from the difference E(D/D(+)) - E(A(-)/A) of the redox potentials of the D and A subgroups of the N-phenylcarbazoles. From solvatochromic measurements with NP4CN an ICT dipole moment μ(e)(ICT) = 19 D is obtained, somewhat larger than the literature values of 10-16 D, because of a different Onsager radius ρ. The carbazole/phenyl twist angle θ = 45° of NP4CN in the S(0) ground state, determined from X-ray crystal analysis, has become smaller for its ICT state, in analogy with similar conclusions for related N-phenylcarbazoles and other D/A molecules in the literature.     

时频域独立元分析方法实现超声兰姆波的多模式分离

为方便兰姆波信号分析与模式定征,提出一种将短时傅里叶变换(Short-Time Fourier Transform,STFT)与独立元分析(Independent Component Analysis,ICA)相结合的多模式超声兰姆波识别方法。首先通过STFT将兰姆波时域信号投影至时频域,基于各模式信号在时频域相对独立的特点,利用ICA实现混叠模式分离。根据分离模式时频能量脊提取各模式群速度曲线,进而估计板厚。将方法运用于时域有限差分(Finite-Difference Time-Domain,FDTD)法仿真与钢板实验,分离得到A0、A1和S0三种模式。仿真与实验中平均群速度估计误差约为1.5%和2.0%,板厚估计误差约为0.3%和2.0%。仿真结果表明,在信噪比(Signal-to-Noise Ratio,SNR)不小于0 dB的情况下,时频域独立元分析方法均可实现兰姆波多模式分离、群速度曲线提取及板厚估计。      

多通道超声兰姆波检测板状结构中的裂纹

超声兰姆(Lamb)波在结构缺陷检测方面愈来愈受到重视,但目前Lamb波的应用局限于单信号源激励,单通道接收的方法,容易受到噪声干扰,其后续的信号分析处理也比较复杂。本文旨在采用多通道Lamb波对板状结构中的裂纹进行定量分析与诊断。在铝板的表面凿刻出不同深度的凹槽作为裂纹,通过线阵换能器采集在一定传播距离内的多通道Lamb波信号,并采用二维傅里叶变换分析在不同深度的裂纹下,Lamb波模式能量的变化规律。结果表明,相对于完好铝板中的Lamb波信号,裂纹的存在会使Lamb波发生模式转换现象,并且转换模式能量百分比随裂纹深度的增加而线性增加。其结果为Lamb波评价板状结构中的裂纹状况提供了一种可能的方法。     

Inclusion Complexes of ß-Cyclodextrin and Its Silyl Derivative with Some Pharmacologically Important Aromatic Monocarboxylic Acids

Stable host-guest complexes of ä-cyclodextrin and its silyl derivative with some aromatic monocarboxylic acids of pharmacological interest were prepared. The structure of the ä-cyclodextrin complex with nicotinic acid was studied by X-ray diffraction.     

二氧化碳速冻喷射器的优化设计及实验研究

本文在文献［３］的基础上作了优化计算的改进，利用气固两相流［１］和系统的优化计算模型编制程序，从最佳面积比、喷射个数和套筒尺寸之间的紧密联系出发，获得了优化设计速冻喷射系统的方法，用于设计速冻系统的套筒、喷嘴的结构尺寸。本文还将理论计算结果与试验数据进行比较，获得了满意的结果。     

冷冻干燥中升华界面移动的微CT实验研究

采用微CT扫描仪的扫描成像,图像重构及灰度值分析技术对不同厚度苹果片冷冻干燥的升华过程进行实验观察,分析了界面的移动特性.结果表明,对于单面传导加热的升华干燥过程,物料升华不仅在顶面进行,与搁板接触的底面以及侧面也会有水蒸气逸出.厚物料在升华过程中有一个明显的球形冻结区,升华界面呈三维模式逐渐向物料几何中心收缩.无论物料厚薄,刚开始升华干燥速率比较快,随着干燥层的增厚,升华过程的热质阻力增大,升华速率减慢.