Electronic structure and vibrational spectra of cis-diammine(orotato)platinum(II), a potential cisplatin analogue: DFT and experimental study

Orotic acid (vitamin B₁₃) is a key intermediate in biosynthesis of the pyrimidine nucleotides in living organisms, moreover, it may serve as the biological carrier for some metal ions. cis-Diammine(orotato)platinum(II), cis-[Pt(C₅H₂N₂O₄)(NH₃)₂] can be considered as a new potential cisplatin analogue. The FT-Raman and FT-IR spectra of the title complex are reported, for the first time. The molecular structure, vibrational frequencies, and the theoretical infrared and Raman intensities have been calculated by the density functional mPW1PW91 method. The detailed vibrational assignment has been made on the basis of the calculated potential energy distribution. The theoretically predicted IR and Raman spectra show very good agreement with experiment. Natural bond orbital (NBO) analyses were performed for cisplatin, carboplatin and the title complex. The results provided new data on the nature of platinum–ligand bonding in these compounds. Strong intramolecular hydrogen bond between the orotate ligand and the coordinated ammonia group stabilizes the structure of the platinum(II) complex. Thus, it is suggested that the orotate ligand in the title complex is more inert to the substitution reactions than the chloride ligands in cisplatin.     

非对称三态叠加多模泛函叠加态光场的高次压缩——广义电场分量的不等幂次和压缩效应研究

多模真空态|{0j}〉q与两个空间强度分布特征不同的多模复共轭泛函相干态|{f(j a)*(x,y,z)}〉q和|{f(j b)*(x,y,z)}〉q的线性叠加组成的三态叠加多模泛函叠加态光场|ψ(f3)〉q,利用多模压缩态理论,研究了态|ψ(f3)〉q中广义电场分量的不等幂次高次和(H)压缩特性.结果表明:在一定的条件下,态|ψ(f3)〉q的广义电场分量可呈现出周期性变化的任意奇数次和任意偶数次的不等幂次高次H压缩效应;光场的经典振幅和经典初始相位的任意非对称空间分布特征对其压缩程度和压缩深度等压缩特性将产生直接的影响.     

Technique for Monolithic Fabrication of Microlens Arrays Integrated with Infrared CCD

Based on scalar diffraction theory, 8-phase-level 256×256 elements diffractive microlens array with element dimension of 50×33 μm2 have been fabricated on the back-side of PtSi(3～5 μm) infrared CCD. The measurement results indicated that the ratio of the signal-to-noise of the infrared CCD with microlens was increased by a factor of 2.8.     

Highly polarized dithiafulvenes: synthesis and nonlinear optical properties

Push-pull dithiafulvenes with reduced bond length alternation (BLA) and high optical nonlinearities have been prepared. The interplay between the proaromaticity of the donor and the structural and optical properties of these merocyanines is discussed. The donor ability of dithiafulvenes can reach that of ferrocene or dialkylaminophenyl groups.     

描述光伏效应的新解析模型

 对陆启生等人提出的描述光伏效应的解析模型涉及的边界条件进行了讨论，提出了一个适用性更宽的解析模型。通过对新模型、陆的模型以及另一个解析模型的比较，对前两个模型能够描述光伏型光电探测器在强光辐照时的信号饱和效应的原因进行了解释。     

A telescope illumination system for a wide-field endoscope

Endoscopic illumination systems conduct light down a built-in fibre-optic bundle to illuminate the object. Many modern endoscopes employ wide-field imaging optical systems and therefore require an illuminating beam of large divergence. This is commonly provided by placing a strong diverging lens at the far end of the fibre bundle, but it results in a poor uniformity of illumination in the object space. This paper describes the design of a telescopic illumination system to overcome this problem.     

傅里叶变换红外光谱与拉曼光谱分析碳青霉烯药物亚胺培南的结构特征

本文采用傅里叶变换红外光谱和激光拉曼光谱对碳青霉烯药物亚胺培南进行光谱检测,并对其的分子振动光谱与结构特征进行分析和探讨,分析了亚胺培南在固相状态下的结构形式,从而为药物合成及质量控制提供了重要的参考价值。     

光学系统的等效变换

本文在普遍情况下使用矩阵方法详细讨论了光学系统的等效变换,证明光线变换矩阵为的光学系统当C≠0时可等效为一个薄透镜,当C=0时等效为一个薄透镜组。文中所得结果能用于分析光线或光束通过复杂光学系统的变换和多元件光腔的问题。     

用区域分解算法结合蒙特卡罗法求坦克温度场和红外辐射出射度

本文将区域分解算法和蒙特卡罗法相结合，求坦克温度场和红外辐射出射度．采用蒙特卡罗法计算辐射传递系数，可以考虑界面的复杂辐射特性，如：镜反射、各向异性发射、各向异性反射等；可直接考虑界面的复杂几何特性，如:相互遮挡、太阳入射方向上的投影面积等．引入辐射传递系数，分离了计算的难点，使得在时间域（计算步骤）上能把整个问题分解为若干个子问题并行处理、在空间域（计算区域）上将坦克分解为若干个子区域，缩小计算规模，并可使用多个处理器并行计算；同时减轻了蒙特卡罗法编程的难度，缩短了计算时间．