系列类立方烷型Fe4S4簇合物的XPS分析

对7种类立方烷型Fe_4S_4簇合物进行了XPS分析,得到了中心离子Fe的价态,给出了系列Fe_4S_4中骨架硫的结合能,由峰合成结果给出各种S、N的比例与按结构式计算的结果相同。     

Low-threshold, high-efficiency, high-repetition-rate optical parametric generator based on periodically poled LiNbO3

We report a high-repetition-rate optical parametric generator (OPG) with a periodically poled lithium niobate (PPLN) crystal pumped by an acousto-optically Q-switched CW-diode-end-pumped Nd:YVO_4 laser. For the maximum 1064nm pump power of 970mW, the maximum conversion efficiency is 32.9% under the conditions of 250℃, 1064nm pulse repetition rate of 22.6kHz and pulse width of 12ns, and the PPLN OPG threshold in the collinear case is less than 23.7μJ. The output power increases with the increase of the crystal temperature. The 1485－1553nm signal wave and 3383－3754nm idler wave are obtained by changing the temperature and the angle of the PPLN crystal.     

Mid—Infrared Optical Parametric Oscillator Based on All—Solid—State—Pumped Periodically Poled LiNbO

We report the tunable mid-infrared generation with a periodically poled LinbO3(PPLN).Using an all-solid-state pumped Nd:YVO4 laser as the pump source and a PPLN nonlinear crystal with grating periods of 28.2-30.8μm,we have achieved wavelength conversion in the 2.90-4.05μm spectral range by period tuning.The use of confocal cavity design has brought a compact,all-solid-state configuration with an average output powers of idler up to -200mW.The maximum power of 277mW was obtained at the wavelength of 3.35um.     

卤代对苝醌类光敏剂光敏活性影响的量子化学研究

以一种新型的醌类光敏剂—菌生素 (HMB)为模型化合物 ,利用量子化学从头算HF/ 6 31G和含时密度泛函TD B3LYP/ 6 31G方法计算研究了卤代作用对醌类光敏剂分子性质和光敏活性的影响 .结果发现 ,卤代作用降低了HMB母体的HOMO和LUMO能级 (EHOMO和ELUMO)及其差值△E ,随卤族元素从上到下 ,EHOMO和ELUMO呈增大趋势 ,而△E呈减小趋势 ,使得分子激发光谱有不同程度的红移 ,在增加PQP三重态量子产率的同时降低了分子最低三重激发态的能量 ,两种作用相互抵消 ,使得卤代物的 1O2 量子产率与母体相似 ;增加了分子的绝热电子亲合势 ,使分子产生O2 -的能力下降 ;卤原子的引入 ,降低了HMB母体分子内氢键的强度 ,同时使顺式构型的分子内质子传递势垒增大 ,而使反式构型势垒减小 .     

Triterpenoid Constituents of Huperzia miyoshiana

Thirteen triterpenoids, including three new ones, miyoshianois A (1), B (2) and C (3), were isolated from Huperzia miyoshiana. The structures of these new compounds were established as 3-O-dihydroferuloyltohogenol (1), 16-oxo-3β,21β-dihydrox-y-serrat-14-en-24-ferulate (2) and 16-oxo-3a, 21β-dihydroxy-serrat-14-en-24-ferulate (3), respectively, on the basis of their spectroscopic analysis.     

高剥离类镁等电子序列的磁偶极M1和电四极E2光谱跃迁理论研究

利用全相对论性多组态Dirac-Fock广义平均能级方法，系统地计算了类镁离子3s3p磁偶极Ml^3P2--^3P1和电四极E2 ^2P2--^3P0(Z=20-103)光谱跃迁的能级间隔、跃迁几率和振子强度。计算中考虑了原子核的有限体积效应，进行了高阶Breit修正和QED修正，所得到的能级间隔和最近的实验数据及理论计算值进行了比较。计算结果表明：高原子序数的高荷电离子的磁偶极矩M1和电四极矩E2跃迁几率和中性原子的电偶极E1的相当，在ICF和MCF高温激光等离子体中，磁偶极矩M1和电四极矩E2跃迁过程不容被忽视。     

大黄酸修饰电极对细胞色素C的催化还原

研究了大黄酸修饰电极的性质及对细胞色素C的催化还原，并研究了其电极应用机理。     

毛细管放电X光激光中的预脉冲研究

 为研究毛细管放电X光激光中预脉冲放电对增益的影响，用简化的XDCH程序，模拟计算了聚乙烯毛细管充Ar气、2μs脉宽的预脉冲放电过程，把预放电之后的等离子体温度、密度和电离度作为初始条件，输入XDCH程序，进行40kA典型主脉冲放电的计算模拟，给出了一些典型预放电幅度下的增益和电子密度分布情况。比较分析的结果发现，对2μs脉宽的预脉冲，100A的电流将得到较好的增益，并且预言激光线时间谱可能出现双峰结构，空间谱会出现环状结构。