Catalytic effect of water,water dimer,water trimer,HCOOH, H2SO4, CH3CH2COOH and HN(NO2)2 on the isomerisation of HN(NO2)2 to O2NNN(O)OH: a mechanism study

In this article, the isomerisation mechanisms of HN(NO₂)₂ to O₂NNN(O)OH without and with catalyst X (X = H₂O, (H₂O)₂, (H₂O)₃, HCOOH, H₂SO₄, CH₃CH₂COOH and HN(NO₂)₂) have been investigated theoretically at the CBS-QB3 level of theory. Our results show that the catalyst X (X = H₂O, (H₂O)₂, (H₂O)₃, HCOOH, H₂SO₄ and CH₃CH₂COOH) shows different positive catalytic effects on reducing the apparent activation energy of the isomerisation reaction processes. Such different catalytic effects are mainly related to the number of hydrogen bonds and the size of the ring structure in X (X = H₂O, (H₂O)₂ and (H₂O)₃)-assisted transition states, as well as different values of pK_a for H₂SO₄, HCOOH and CH₃CH₂COOH. Very interesting is also the fact that H₂SO₄-assisted reaction is the most favourable for the hydrogen transfer from HN(NO₂)₂ to O₂NNN(O)OH, due to the smallest pK_a (?3.0) value of H₂SO₄ than H₂O, HCOOH, H₂SO₄ and CH₃CH₂COOH, and also because of the largest ∠X???H???Y (the angle between the hydrogen bond donor and acceptor) involved in H₂SO₄-assisted transition state. Compared to the self-catalysis of the isomerisation mechanisms of HN(NO₂)₂ to O₂NNN(O)OH, the apparent activation energy of H₂SO₄-assisted channel also reduces by 9.6 kcal?mol^?1, indicating that H₂SO₄ can affect the isomerisation of HN(NO₂)₂ to O₂NNN(O)OH, most obvious among all the catalysts H₂O, (H₂O)₂, (H₂O)₃, HCOOH, H₂SO₄, CH₃CH₂COOH and HN(NO₂)₂.     

A Ratiometric and near-Infrared Fluorescent Probe for Imaging Cu<Superscript>2+</Superscript> in Living Cells and Animals

We have rationally constructed a novel ratiometric and near-infrared Cu²⁺ fluorescent probe based on a tricarbocyanine chromophore. The new probe NIR-Cu showed a ratiometric fluorescent response to Cu²⁺ with a large emission wavelength shift (up to 142 nm) in the far-red to near-infrared region. The probe also displayed a large variation in the fluorescence ratio (I₆₃₆/I₇₇₈) to Cu²⁺ species with high sensitivity and selectivity. Additionally, the developed probe NIR-Cu was suitable for fluorescence imaging of Cu²⁺ in living cells and mice.     

A Compact-Intracavity Frequency-Doubling Nd:YAG Laser with 1.3 W Dual-Wavelength (659.6 nm/669.4 nm) Light Output

Terahertz wave radiation has important applications in medical instrumentation, optical communication, and so on. In this paper, we demonstrate a dual-wavelength (659.6 nm/669.4 nm) light output of a compact intracavity frequency-doubling Nd:YAG laser. We achieve a maximum output power of 1.3 W at central wavelengths of 659.6 and 669.4 nm with linewidths of 57 and 74 pm, respectively. The power instability at the maximum output power is less than 1%, and the beam quality is 1.5. This dual-wavelength laser provides a potential source for generating a coherent terahertz wave radiation of 6.46 THz by the nonlinear optical difference frequency method.     

High-Power Diode-End-Pumped Slab Composite Tm:YLF Compact Laser

We design a continuous-wave Tm:YLF laser with a composite slab crystal end-pumped by two fiber-coupled laser diodes at room temperature. We achieve a maximum continuous wave output power of 105 W for the bonded slab Tm:YLF laser; the corresponding slope efficiency is 47.7% and the optical-to-optical conversion efficiency is 42.0% with respect to the incident pump power. The laser operated at 1,907.5 nm with a beam quality factor of M² ～3.2 at the highest output power.     

关于二级相变中热力学物理量突变的分析与自旋链模拟

理论上对二级相变中热容、体膨胀系数、等温压缩系数三个热力学物理量的变化进行了分析,进而使用自旋链模型的基态能量和von Neumann熵随模型参数变化的突变行为对二级相变中这三个物理量的变化所引起的系统序变进行模拟,得到二级相变中热容、体膨胀系数、等温压缩系数的变化是由于系统内部微观上发生关联序变的结果。     

超声探头的响应特性及暂态回波模型

建立检测系统的数学模型,可以更好地理解超声检测的物理本质。分析了超声波从产生、介质中传播、缺陷耦合以及接收的全过程,将缺陷回波表示为探头响应函数与缺陷响应的时域卷积。利用空间脉冲响应和基尔霍夫近似建立了超声波与平面型缺陷的耦合模型,用大平面试块底面回波和大平面响应进行反卷积求得了探头的响应函数,并详细分析了探头在不同偏置位置时不同大小缺陷响应的特点,发现缺陷回波由直达回波和边缘回波组成,直达回波和边缘回波极性相反,且直达回波的幅值远远大于边缘回波。     

重入自旋玻璃尖晶石系统CoxZn1-x(FeyCr1-y)2O4中的微波磁共振

研究了具有重入自旋玻璃转变的尖晶石系统Co_xZn_1-x(Fe_yCr_1-y)₂O₄(0.4≤x≤0.8,y=O.5,0.8)中的微波磁共振,获得了共振线型、共振线宽、共振场、g因子、积累强度等共振参数与温度的依赖关系,并研究了磁性离子Co²⁺的浓度对共振线宽的影响。采用自旋成团效应及局域混乱场模型讨论了这些实验现象的机制,认为在一定条件下自旋团的形成、发展 关键词：     

用正电子湮没研究高聚物聚甲基丙烯酸甲脂的结构转变与自由体积特性

在20—150℃温度范围内,测量了高聚物聚甲基丙烯酸甲酯(PMMA)中的正电子湮没寿命谱和湮没辐射多普勒展宽谱随温度的变化。两种正电子湮没参数的温度关系均一致反映了高聚物PMMA中的结构变化。108℃和48℃处的变化与玻璃化转变和β相交有关,而本实验发现正电子湮没特征在84℃处出现异常,这可能是此温度下少量自由体积孔洞的连通所致。由实验测得的o-Ps寿命及其相对强度计算了PMMA中自由体积孔洞的尺寸及自由体积分数随温度的变化。     

表面增强拉曼散射(SERS)衬底的研究及应用

表面增强拉曼散射(surface enhanced Raman scattering,SERS)是通过吸附在粗糙金属表面或金属纳米结构上的分子与金属表面发生的等离子共振(SPR)相互作用而引起的拉曼散射增强现象,是一种高灵敏的探测界面特性和分子间相互作用的光谱手段。文章归纳总结了近年来常用的SERS衬底的制备方法(溶液中的金属溶胶(MNPs in suspension)、 金属纳米粒子的自组装(self-assembly)、 模板法(Template method)和纳米光刻法(Nanolithographic)等;综述了这些衬底的表面增强拉曼特性;着重介绍了SERS增强在环境监测和生物医学应用上的最新国内外研究动态。目前已经能够实现增强因子高、 可靠性好、 重现性强的SERS衬底的可控制备,表明SERS可以作为一种高性能的分析探测工具,充分实现其潜在应用价值。     

Spatial-mode analysis in broad-area semiconductor lasers subjected to optical feedback

Broad-area semiconductor lasers are unstable light sources even in solitary oscillation owing to the spatial dependence of laser emission along the stripe width. One of the instabilities that occur in the dynamics of broad-area semiconductor lasers is filamentation. Laser oscillations are further affected by optical feedback. In the presence of optical feedback, higher spatial modes related to the filamentations are either excited or suppressed depending on the feedback conditions. As a result, the beam shape of the time-averaged pattern is greatly affected by optical feedback. In this study, we perform the decomposition of spatial-mode components for time-averaged near-field patterns in the presence of optical feedback. A method of simulated annealing (SA) is employed for the decomposition. The beam profiles are well reconstructed by the SA method. A quantitative discussion of the excitation or suppression of higher spatial modes in relation to the optical feedback conditions is given.