Synthesis,Structural Characterization and Magnetocaloric Effect of a Butterfly [Co~Ⅱ_2Gd~Ⅲ_2] Cluster

2-(2,3-Dihydroxpropyliminomethyl)6-methoxyphenol(H_3L), trimethylacetic acid(Hpiv), Gd(NO_3)3·6 H_2O and Co(NO_3)2·6 H_2O were reacted in Me OH to obtain a heterometallic tetranuclear cluster [Gd_2Co_2(L)_2(μ_3-OH)_2(piv)_6]·2 Hpiv·2 CH_3OH(1). X-ray crystallographic analysis reveals that compound 1 was found to be a butterfly heterometallic tetranuclear cluster. The crystal(C_(64)H_(108)Co_2Gd_2N_2O_(28), Mr = 1785.88) belongs to the triclinic crystal system, space group P1 with a =11.9798(6), b = 12.0877(5), c = 15.0367(7) ?, α = 67.320(4)°, β = 81.583(4)°, γ = 75.201(4)°, V =1939.62(18) ?3, Z = 1, T = 293.15 K, R = 0.048 and w R = 0.144 for 16299 observed reflections with I 2σ(I). In magnetization study, heterometallic 1 exhibits magnetocaloric effect(MCE) of 14.75 J·kg~(-1)·K~(-1) at 2 K for ΔH = 5 T, while it does not show non-linear response of the ac-susceptibilities.     

氪原子的近红外吸收光谱的研究

本文利用浓度调制的万法测量了氪原子在11870～12700 cm~(-1)波段的高分辨连续吸收光谱.在实验中,通过对氪气和氦气混合气体进行放电的方法制备氪原子.总共测量了120根氦原子吸收谱线,其中33根谱线是已被报道过的,45根新测量的谱线可以通过已知的氪原子能级进行标定,其它剩下的42根新测量的谱跃迁线根据已知的氪原子能级信息尚无法进行标定.本次实验中的这些未知的42根氪原子的跃迁谱线,可以推断氪原子有尚未被报道或测量过的原子能级存在.本文同时对如何用"Classification"计算软件分析未知氪原子谱线的可能存在的能级进行了演示.     

氮原子同位素计算

本文利用多组态Dirac-Hartree-Fock和相对论组态相互作用的方法计算了氮原子的同位素¹⁴N和¹⁵N的四对能级跃迁：3s⁴P→3p⁴P°，3s⁴P→3p⁴D°，3s²D→5p²D°，和3s²P→3p²P°相应的特殊质量位移系数和场因子. 由计算所得的正常质量位移，特殊质量位移系数和场因子获得了氮原子同位素的正常质量位移、特殊质量位移和场位移. 同时将计算结果和报道的实验和理论计算结果进行了比较.     

第三讲 化学稳定分子的激光减速、冷却及其MOT技术

文章首先介绍了分子激光减速和冷却的基本原理、技术方案及其最新进展,主要包括分子的选择、分子激光减速、分子激光冷却、电光冷却多原子分子等。接着简单介绍了分子磁光囚禁的基本原理、技术方案及其最新研究进展。最后,就分子"激光减速、冷却与磁光囚禁"的研究进行了简单的总结与展望。     

Adiabatic cooling for cold polar molecules on a chip using a controllable high-efficiency electrostatic surface trap

We propose a controllable high-efficiency electrostatic surface trap for cold polar molecules on a chip by using two insulator-embedded charged rings and a grounded conductor plate. We calculate Stark energy structure pattern of ND3 molecules in an external electric field using the method of matrix diagonalization. We analyze how the voltages that are applied to the ring electrodes affect the depth of the efficient well and the controllability of the distance between the trap center and the surface of the chip. To obtain a better understanding, we simulate the dynamical loading and trapping processes of ND3 molecules in a ｜J, KM = ｜1,-1 state by using classical Monte–Carlo method. Our study shows that the loading efficiency of our trap can reach ～ 88%. Finally, we study the adiabatic cooling of cold molecules in our surface trap by linearly lowering the potential-well depth（i.e., lowering the trapping voltage）, and find that the temperature of the trapped ND3 molecules can be adiabatically cooled from 34.5 m K to ～ 5.8 m K when the trapping voltage is reduced from-35 k V to-3 k V.     

Electrostatic surface trap for cold polar molecules on a chipElectrostatic surface trap for cold polar molecules on a chipElectrostatic surface trap for cold polar molecules on a chip

We propose a simple scheme for trapping cold polar molecules in low-field seeking states on the surface of a chip by using a grounded metal plate and two finite-length charged wires that half embanked in an insulating suhstrate, calculate the electric field distributions generated by our charged-wire layout in free space and the corresponding Stark potentials for ND3 molecules, and analyze the dependence of the trapping center position on the geometric parameters. Moreover, the loading and trapping processes of cold ND3 molecules are studied by using the Monte Carlo method. Our study shows that the loading efficiency of the trap scheme can reach 11.5%, and the corresponding temperature of the trapped cold molecules is about 26.4 inK.     

皮皮鲁和二宗数学罪

皮皮鲁见叔叔皮武捉罪犯捉耨手抽筋．自己也想捉一捉。可怎么捉呢？唉，可以捉犯数学罪的人呀!什么是数学罪呢？嘻嘻，就是把数学概念记错了的罪。     

CH3+NO的反应机理和动力学研究

在G2(B3LYP/MP2/CC)理论水平上研究了CH3自由基与一氧化氮分子(NO)的反应.计算了反应体系最低势能面上各驻点的构型参数、振动频率和能量,全面研究了此反应的反应机理及各个可能的反应通道;利用多通道TST RRKM理论计算了300～2500K的总包反应速率常数的温度效应、压力效应和各反应通道的分支比.详细讨论了活化分子碰撞失活对反应速率的贡献,计算结果和实验数据符合得较好.     

Electrostatic surface trap for cold polar molecules on a chip

We propose a simple scheme for trapping cold polar molecules in low-field seeking states on the surface of a chip by using a grounded metal plate and two finite-length charged wires that half embanked in an insulating substrate, calculate the electric field distributions generated by our charged-wire layout in free space and the corresponding Stark potentials for ND3 molecules, and analyze the dependence of the trapping center position on the geometric parameters. Moreover, the loading and trapping processes of cold ND3 molecules are studied by using the Monte Carlo method. Our study shows that the loading efficiency of the trap scheme can reach 11.5%, and the corresponding temperature of the trapped cold molecules is about 26.4 mK.     

用于α和μ常数变化测量的碘离子光谱研究

分子离子I_2~+的禁戒跃迁光谱有可能用于测量α和μ常数的变化,并且具有增强的灵敏度.通过分析I_2~+在11860—13100 cm~(-1)范围内的转动光谱,拟合了A~2Π_(3/2)-X~2Π_(3/2)系统31个振转带的5759根吸收谱线,得到5个属于X~2Π_(3/2)态和9个属于A~2Π_(3/2)态的振动能级准确的转动光谱常数.在量子噪声极限和1 Hz跃迁线宽的条件下,计算得到X~2Π_(3/2)和X~2Π_(1/2)之间的禁戒跃迁对α和μ常数变化测量的灵敏度为δ_(α/α)≈2.37×10~(-19)a~(-1)和δ_(μ/μ)≈1.18×10~(-18)a~(-1).