The reagent vibrational excitation effect on the stereodynamics of the reaction O(~1D)+HBr→OH+Br

Calculations on the dynamics of the reaction O( 1 D) + HBr → OH + Br are performed on the ab initio potential energy surfaces (PESs) of the ground state given by Peterson Peterson K A J. Chem. Phys. 113 4598 (2000)using the quasiclassical trajectory (QCT) method. The product distribution of the dihedral angle, P (φ r ), and that of the angle between and , P (θ r ), are presented in three dimensions. Moreover, we also investigate the reagent vibrational excitation effects on the two polarization-dependent generalized differential cross sections (PDDCS), PDDCS 00 and PDDCS 20 , in the center-of-mass frame. The results indicate that the vector properties are sensitive to the reagent vibrational quantum number.     

激光模结构对铅原子多光子离化的影响

本实验是在原子束装置中进行的,原子密度在10~6～10~9/cm~8范围内。Quanta-Ray DCRZA型YAG激光器输出的1.06μ的激光脉冲,能量可达70mJ/脉冲。对线宽为3GHz、600MHz、60MHz的激光输出,纵模结构不相同;线宽为60MHz的激光     

A Theoretical Strategy to Generate an Isolated 80-Attosecond Pulse

Using a linearly polarized, phase-stabilized 2.66-femtosecond driving pulse of 400 nm central wavelength orthogonally combined with another linearly polarized long pulse of 800 nm central wavelength irradiating jointly on the helium atom, we demonstrate theoretically the generation of a clean isolated 80-attosecond pulse in the spectral region of 93-155 electron volts in a two-dimensional model.     

Analysis of femtosecond laser ionization/dissociation of polyatomic molecule C6H10O from one-colour pump-probe measurement

This paper reports that a one-colour fs pump-probe measurement has been carried out for studying photoionization/photodissociation of cyclohexanone (C6H10O) in intense laser field. Two of the fragments from cyclohexanone, C2H3+ and C3H3+ , are studied under 800 nm laser pump-probe and the results obtained show similar time evolutions. It proposes a feasible model for analysing the experimental observations of the one-colour fs pump-probe measurement. The results demonstrate that as an intermediate product, the excited molecular parent ions play a very important role in photionization/photodissociation processes in intense laser field.     

六极装置电场分布及对CH3Cl分子束选态会聚的模拟

通过数值获得的六极装置内部电势分布数值解,拟合得出电势分布公式中的系数,给出各项系数随着装置参数ρ0/r0的变化规律及拟合函数形式,结果表明ρ0/r0=0.5516时,六极装置的电场分布最接近理想六极电场. 对于其它ρ0/r0值时,推导出电势、电场更精确的计算公式. 并利用这些公式,在ρ0/r0不满足最优配置时给出了对CH3Cl分子转动态的会聚所需的实验参数. 这些方法为利用六极装置对分子束会聚和转动态选择的理论模拟及试验提供了更准确的理论依据.     

真空中脉冲激光烧蚀铝等离子体发射光谱及粒子速度研究

利用Q开关Nd:YAG激光器产生的1.06 μm倍频后532 nm、脉宽10 ns的脉冲激光聚焦在置于真空室中铝靶上,观测激光诱导的铝等离子体发射光谱.采用不同的激光能量,分析了波长范围为350 nm到400 nm的空间、时间分辨发射光谱.在局部热力学平衡(LTE)条件近似下,根据谱线的相对强度,计算得到等离子体电子温度,给出了靶面附近电子温度的空间、时间演化规律;根据谱线半宽,计算等离子体电子密度,并给出了靶面附近电子密度的空间与时间演化规律;在靶面正前方处放置动能探测器,记录粒子飞行时间信号,观测不同激光强度烧蚀铝靶产生等离子体中三种粒子到达探测器的时间,计算得出等离子体中三种观测到的粒子喷射速度.     

丙酮分子在355nm激光作用下的异构化过程

阐述了在 35 5nm激光作用下超声分子束中丙酮分子的两种异构化过程 ,其中一种为此实验条件下首次观测到的丙酮到丙烯醇的异构 .对两种异构化反应分别给出了过程描述.使用氘代丙酮对异构产物的可能性进行了验证 .并通过中间产物的实验结果进一步说明异构过程. Two isomerization processes of acetone molecule in supersonic beams induced by 355 nm laser are discussed. It is the first time to observe the isomerization from acetone to ally alcohol in this experimental condition. The isomerization process is suggested and verified by time of flight mass spectrum experiments of deuterated acetone and a transient product.     

氧化石墨烯功能化后含水甲基蓝中隐藏的驰豫通道

The mixture of graphene oxide (GO) and dye molecules may provide some new applications due to unique electronic, optical, and structural properties. Methylene blue (MB), a typical anionic dye, can attach on GO via π-π stacking and electrostatic interaction, and the molecule removal process on GO has been observed. However, it remains unclear about the ultrafast carrier dynamics and the internal energy transfer pathways of the system which is composed of GO and MB. We have employed ultrafast optical pump-probe spectroscopy to investigate the excited dynamics of the GO-MB system dispersed in water by exciting the samples at 400 nm pump pulse. The pristine MB and GO dynamics are also analyzed in t_andem for a direct comparison. Utilizing the global analysis to fit the measured signal via a sequential model, five lifetimes are acquired:(0.61±0.01) ps, (3.52±0.04) ps, (14.1±0.3) ps, (84±2) ps, and (3.66±0.08) ns. The ultrafast dynamics corresponding to these lifetimes was analyzed and the new relaxation processes were found in the GO-MB system, compared with the pristine MB. The results reveal that the functionalization of GO can alter the known decay pathways of MB via the energy transfer from GO to MB in system, the increased intermediate state, and the promoted energy transfer from triplet state MB to ground state oxygen molecules dissolved in aqueous sample.     

A_2B模型分子经典轨迹的辛算法计算

采用辛算法计算了Ａ２Ｂ模型分子的经典轨迹并与传统Ｒｕｎｇｅ－Ｋｕｔｔａ　（Ｒ－Ｋ）算法进行了比较．结果表明，在微观反应动力学研究所应考虑的时间范围内，辛算法的结果与理论分析一致，Ｒ－Ｋ法的结果则面目全非．因此，用辛算法替代传统数值方法有可能克服目前经典轨迹计算存在的困难，从根本上改进微观反应动力学研究的经典轨迹方法．     

采用准经典轨迹的方法研究碰撞能对C+CD→C2+D反应的影响

运用准经典轨线方法,基于¹A'势能面[Mol. Phys. 98, 1925(2000)],从理论上研究了碰撞能对C+CD→C₂+D反应的立体动力学性质的影响．计算并且详细讨论了与产物矢量相关的三个极化分布函数P(θr), P(φr)和P(θr,φr)．此外,在质心坐标系中,研究了碰撞能对两个极化微分反应截面的影响．结果表明,产物C₂的立体动力学性质对反应物分子的碰撞能非常敏感.