吡啶B1(nπ*)态(2+3)偏振共振多光子电离谱中6a10带型模拟及转动常量确定

通过模拟吡啶B₁(nπ^*)态(2+3)偏振共振多光子电离谱中转动结构可部分分辨的6a¹₀带型,获得了该态上吡啶分子的转动常量,分别为A′=0.21670cm^-1,B′=0.16758cm^-1,C′=0.09450cm^-1.表明氮原子上的一个孤对电子跃迁进入π^*轨道后氮原子自身电负性减弱,吡啶分子构架总体上张开.此外,比较6a^关键词：     

SF2自由基4s和C态的共振增强多光子电离研究

利用六氟化硫和氩气混合样品直流脉冲放电产生SF2自由基,观测得到320—365nm波长范围内SF2自由基的(2+1)共振增强多光子电离(REMPI)光谱.经分析,该REMPI谱对应于SF2自由基的4s(B1B1)Rydberg态和态的共振双光子吸收,获得了二个态的全对称伸缩振动模(ω′1)和OPLA模(ω′2)的振动频率值.初步澄清了态的带源及振动属性,并对态附近SF2自由基的解离行为进行了讨论 关键词：     

激光光解NO2产物—NO分子NO（X2П）与氧原子O(3PJ″)的REMPI离子谱研究

利用激光光解NO₂分子,通过共振增强多光子电离(REMPI resonance enhanced multiphoto ionization)及飞行时间（TOF time of flight）质谱技术,获得了振转态分辨的NO（Ｘ^２Π,υ″,Ｊ″）与自旋-轨道分辨的氧原子O（２Ｐ^３Ｐ_{Ｊ″＝２,１,０})离子谱.NO分子与O原子的离子信号强度与ＵＶ电离激光能量之间的关系分别能用二次方和三次方曲线很好拟合,它表明:光解产物NO分子和氧原子是分别通过（1+1）和（2+1）多光子吸收过程而被电离的.由氧离子信号得到的氧原子基态三个自旋-轨道支能级布居比f_１与f_０分别为0.54±0.09和 0.20±0.04,这一比值与统计分布计算的值为0.6和0.2一致.     

对氯氟苯S_0、S_1和D_0态的实验与理论研究（英文）

本文采用共振增强多光子电离和慢电子速度成像技术研究了对氯氟苯(p-ClFPh)在中性第一激发态和阳离子基态下的几何结构和振动频率.给出了对氯氟苯S_0态的红外光谱和S_1←S_0跃迁的吸收光谱.基于单色、双色共振增强双光子电离技术,得到了对氯氟苯的跃迁激发能是36302±4 cm~(-1).通过阈值电离测量,外推得到对氯氟苯的绝热电离能为72937±8 cm~(-1).此外,通过Franck-Condon模拟,确定了S_1和D_0态的主要振动模式,并分析了对氯氟苯分子S_0S_1和S_1D_0跃迁过程中的Duschinsky振动模式混合效应.     

氯代苯分子3d Rydberg态的共振多光子电离光谱研究

用共振多光子电离（ＭＰＩ）技术，结合飞行时间质谱（ＴＯＦＭＳ），对氯代苯（Ｃｌ）分子的３ｄＲｙｄｂｅｒｇ态进行了研究。在λ＝（４７３．０ｎｍ～４８３．０ｎｍ）范围内所获得的光离子光谱呈现出明显的可分辨的结构。经分析为３ｄ态的（３＋１）共振多光子电离，光谱结构可能为３ｄ态振动能级的反映，考虑跃迁选律，对这些结构进行了尝试性指认。     

Ti原子315nm-321nm区（1+1）共振增强多光子电离谱的实验研究

结合激光烧蚀、超声射流技术,在实验上制备了高浓度的Ti原子自由原子束源,测定了315nm-321nm光谱区过渡金属Ti原子的(1+1)共振增强多光子电离谱,并对光谱结构进行了归属.     

NO分子和氧原子的高分辨离子谱实验研究

共振增强多光子电离及飞行时间质谱技术是一种具有高分辨率、高灵敏度的光谱研究技术。利用上述技术研究了由激光光解NO2产物-NO与原子O的离子谱,获得了振转态高度分辨的NO(X^2П,v″,J″)γ(0,0)γ(0,1)γ(1,1)带的离子谱以及自旋-轨道精细能级分辨的氧原子O(2P^3PJ^″=2,1,0)离子谱。氧原子O(2P^3PJ^″=2→3P^3PJ^″、2P^3PJ^″=1→3P^3PJ′、2P^3PJ″=0→3P^3PJ′)的离子信号位于紫外电离探测激光的波长分别为225．65nm,226．04nm,226．23nm。实验表明,共振增强多光子电离加飞行时间技术研究原子、分子光谱其灵敏度与分辨率远高于常用的激光感生荧光方法。所得到的NO分子与氧原子的离子谱及它们的离子信号对NO2分子光解及NO分子与氧原子的电离动力学研究提供了有益的实验信息。     

Ar原子偶宇称3p5(2P1/2)nl′ [K′]J (l′=1, 3)自电离Rydberg态共振增强激发光谱

用脉冲直流放电产生Ar原子亚稳态3p⁵4s[3/2]₂和3p⁵4s′[1/2]₀．在单光子32500～35600 cm^-1能量范围内, 结合飞行时间质谱技术获得Ar原子共振增强激发光谱．光谱分析表明,所有谱线来源于Ar原子3p⁵4s[3/2]₂和3p⁵4s′[1/2]₀两个亚稳态吸收单个光子向偶宇称np′、nf′自电离Rydberg态序列的跃迁．实验观测到许多新的自电离能级,并获得更精确和系统的能级位置和量子亏损值数据．     

对31S0介子九重态中ss成员的质量分析

利用雷吉轨迹理论和介子九重态质量混合公式两种方案，对3^１Ｓ_０介子九重态中同位旋标量态(主要是ss—成分)的质量给出预言，两种方案分别给出1853MeV和1849±1.2MeV.两种方案自洽的结果，将为实验上寻找该态的候选者提供帮助. 关键词： 雷吉轨迹 介子混合 同位旋标量态     

两种聚对苯乙炔类衍生物的线性与非线性光学性质

采用吸收光谱、荧光光谱和皮秒Z-扫描等实验方法研究了侧链长度的不同对聚[2-甲氧基-5-(2′-乙基-己氧基)]对苯乙炔(MEH-PPV)和聚(2,5-二辛氧基)对苯乙炔(DO-PPV)两种聚对苯乙炔(PPV)衍生物光学性质的影响,并用π-电子共轭结构理论和共振、非共振增强理论进行了分析。结果表明,侧链较长的MEH-PPV的吸收峰和荧光发射峰比DO-PPV相应的吸收和荧光峰均有所红移;侧链结构及共振增强使得MEH-PPV的三阶非线性极化率比DO-PPV增强了近两个量级,并在532 nm激发时,χ(3)具有最大值9.30×10-10esu。     

钠分子高位态(2~1Π_g)有关振转能级动力学参数的测定

用共振多光子电离光谱技术，检测钠分子Ｘ１Σ＋ｇ→２１Πｇ在１６５７４．５ｃｍ－１～１６５９０．５ｃｍ－１之间的共振电离信号激发谱，根据有关分子常数和德哈姆展开式，标识了其中三条谱线。借助于电离流时间衰减曲线，测量得出了上述三条谱线对应的振动能级的动力学参数     

Effect of aggregation on the radiative (T1 → S0) and nonradiative (T1⇝S0 and S1⇝T1) transitions in xanthene dyes

The measurement of triplet decay time (τ_p) and the relative yields of phosphorescence to fluorescence (φ_p/φ_f) have been made in solutions of xanthene dyes. The value of φ_p/φ_f increases while that of τ_p decreases as the concentration of the solution is increased. The rate constants k_p, k_qp and k_is have been estimated. It is found that the values of k_qp and k_is increase while that of k_p remains substantially constant for the entire range of concentration. The deuterium solvent effect is observed in τ_p and φ_p.     

Multiple fluorescence and the electronic relaxation processes of coronene vapor: The fluorescence from the S1, S2, and S3 states

Fluorescence and excitation spectra of coronene vapor have been measured under different conditions. Weak emission which can be regarded as the fluorescence from the third excited singlet state, S₃(¹E_1u), was observed in addition to the S₁(¹B_2u) and S₂(¹B_1u) fluorescence. The observed S₂ and S₃ fluorescence are substantially different from those reported previously for coronene vapor. Addition of oxygen resulted in significant decrease of the S₁ fluorescence intensity, but did not affect the S₂ fluorescence intensity, indicating the faster decay rate of the S₂ state than that of S₁. Excitation energy dependence of the S₁, S₂ and S₃ fluorescence quantum yields (Φ_F(S₁), Φ_F(S₂) and Φ_F(S₃), respectively) revealed that Φ_F(S₁) decreases with increasing excitation energy, while Φ_F(S₂) and Φ_F(S₃) increase significantly. The quantum yield ratios, Φ_F(S₂)/Φ_F(S₁) and Φ_F(S₃)/Φ_F(S₂), obtained as a function of excitation energy are correlated with the ratios of the relative internal conversion rates.     

LIF excitation spectra for S0 → S1 transition of deuterated anthranilic acid COOD, ND2 in supersonic-jet expansion

Laser induced fluorescence (LIF) excitation spectrum for the S₀ → S₁ transition of anthranilic acid molecules deuterated in the substituent groups (COOD, ND₂) was investigated. Analysis of the LIF spectrum allowed for the assignment of the six most prominent fundamental in-plane modes of frequencies up to ca. . The experimental results show good correlation with the frequency changes upon deuteration computed with CIS (CI-Singles) and TD-DFT for the S₁ state. Deuteration induced red-shifts of the identified fundamental bands are used for examination of the alternative assignments proposed in earlier studies. Potential energy distributions (PED) and overlaps of the in-plane normal modes with frequencies below indicate that the correspondence of the respective vibrations of the deuterated and non-deuterated molecule is very good. A blue-shift of the 00 transition due to the isotopic substitution, is equal to . This relatively large value is caused primarily by a significant decrease of the N-H stretching frequency associated with the increase of strength of the intramolecular hydrogen bond upon the electronic excitation. The deuteration shift of the 00 band was interpreted in terms of the differences of the zero point energy (ZPE) between the S₀ and S₁ electronic states, computed with DFT and TD-DFT methods, respectively.     

LIF excitation spectra for S0 → S1 transition of anthranilic acid: Detailed studies

Laser-induced fluorescence (LIF) excitation spectra of jet-cooled molecules of anthranilic acid were investigated. In order to distinguish bands belonging to the monomer from those belonging to the dimer species three different spectra were recorded under conditions which differed in the value of partial pressure of vapours of anthranilic acid. Narrow bandwidth of rotational profiles in the acquired spectra made it possible to resolve new interesting spectral features and to analyse the rather small anharmonicity in progressions of several low-frequency vibrations. Eleven fundamental bands up to ca. 1400 cm⁻¹ and five overtones of out-of-plane vibrations were assigned. Simulation based on approximate relations of the experimental band intensities of overtones and combination bands with respect to fundamental bands was carried out. This simulation was found a simple and practical tool in analysis of the spectra and an aid to verify the proposed assignment.Harmonic and anharmonic frequencies of vibrational modes were calculated using the HF/6-31G∗∗ and CIS/6-31G∗∗ methods for the S₀ and S₁ state, respectively. Modelling of band intensities using displacement parameters derived from the results of the ab initio calculations was performed. This modelling significantly underestimates the displacement parameters. The Dushinsky matrix derived from the results of the ab initio calculations was used to check the validity of the models and to find modes which undergo large frequency changes and mode mixing upon electronic excitation.     

The mass of the isodoublet of the 2^1S0 meson nonet revisited

In the qq quark model, the states π（1300）, η（1295） and η（1475） are assigned as the 2^1S0 meson nonet. The mass of the isodoublet remains interesting and needs further confirmation in experiments. This paper employs the phenomenological trajectory on the （N, M^2）-plot and meson meson mixing methods to calculate the mass of this state, the calculated results are 1341 MeV and 1311.58 ± 59 MeV respectively. These predictions can be compared with experiments in the future.[第一段]     

Intensity dependent polarization change in the D1 and D2 resonance lines of sodium

Intensity dependent polarization change and rotation of elliptically polarized light are observed and analyzed in the D₁ and D₂ resonance lines of sodium. The characteristics of these effects in terms of the difference between self- and cross- saturation coefficients are discussed for transitions with arbitrary values of total angular momentum J.     

Theoretical Study of Interaction Between S2 and SiHx (x=1, 2, 3) in Porous Silicon

用密度泛函B3LYP/lanl2dz方法研究了S₂分子与多孔硅中SiH_x (x=1, 2, 3)的相互作用, 构建了表面掺杂有CH₃,Si-O-Si和OH结构的多孔硅模型. 当S₂分子处于模型不同位置时,通过分析结合能和电子迁移发现S₂分子与SiH_x (x=1, 2, 3)的相互作用强于S₂分子与CH₃和OH的相互作用. 利用过渡态理论研究了Si₂H₆+S2→H₃SiH₂SiS+HS反应,得到反应势垒为50.2 kJ/mol.     

Observation and optimization of DAVLL spectra on the S0-P1 transition of neutral mercury atom

The dichroic atomic vapor laser locking (DAVLL) spectra on the ¹S₀-³P₁ transition of neutral mercury atoms are reported for the first time. Two classes of DAVLL line shapes corresponding to single resonant transition and the combinations of several transitions are experimentally observed and compared with numerical simulation. The dependences of peak-to-peak amplitude and the slope near the zero-crossing point on the axial magnetic field and cell temperature are also investigated. A simple model was introduced to briefly estimate the optimal magnetic field with the largest slope. The optimal operating parameters in a 1 mm cell are highlighted to use DAVLL to lock the frequency of the 253.7 nm UV trap laser of mercury atoms.