Ultrafast proton transfer dynamics of 2-(2'-hydroxyphenyl)benzoxazole dye in different solvents

The excited-state intramolecular proton transfer of 2-(2-hydroxyphenyl)benzoxazole dye in different solvents is investigated using ultrafast femtosecond transient absorption spectroscopy combined with quantum chemical calculations.Conformational conversion from the syn-enol configuration to the keto configuration is proposed as the mechanism of excited-state intramolecular proton transfer.The duration of excited-state intramolecular proton transfer is measured to range from 50 fs to 200 fs in different solvents.This time is strongly dependent on the calculated energy gap between the N-S;and T-S;structures in the S;state.Along the proton transfer reaction coordinate,the vibrational relaxation process on the S;state potential surface is observed.The duration of the vibrational relaxation process is determined to be from8.7 ps to 35 ps dependent on the excess vibrational energy.     

Effect of conical intersection of benzene on non-adiabatic dynamics

The effect of conical intersection on the excited dynamics of benzene is studied by ab initio theory of electronic structure, which provides an important insight into photophysical and photochemical reactions. Based on the CASSCF(6,6)/6-31+G(d, p) method, the topological structures of conical intersections S₁/S and S₂/S₁ of benzene, as well as the optimal structures of the ground state (S) and excited states (S₁, S₂), are determined. The energy minima of the S₁ state and S₂ state are estimated at 4.608 eV and 6.889 eV, respectively. In addition, the energy values of the conical intersections of S₁/S and S₂/S₁ are predicted to be 5.600 eV and 6.774 eV. According to the topological structures and energy values of the S₂/S₁ and S₁/S conical intersections, the photophysical behavior of benzene excited to the S₂ state and the effects of the S₂/S₁ and S₁/S conical intersections are discussed in detail.     

Casimir Effect of Scalar Field on Sn-1 Manifold

Casimir effect of scalar field on R⁴×S_n-1 manifolds is evaluated. The results show that compactness of manifolds S₁ and S₂ can be held by Casimir force. However, other compact spaces (S_n-1, n > 3 ) are unstable.     

SrNb2O6-NaNbO3-LiNbO3赝三元系相图的研究

本文用X射线衍射、热处理及差热分析等方法测定了SrNb₂O₆-NaNbO₃-LiNbO₃赝三元系的室温截面及相应的SrNb₂O₆-NaNbO₃,SrNb₂O₆-LiNbO₃和NaNbO₃-LiNbO₃等三个赝二元系相图;粗略地研究了Sr_0.42Na_0.16NbO₃-LiNbO₃系的纵截面;含5mol％LiNbO₃及10mol％LiNbO₃的SrNb₂O₆-NaNbO₃的纵截面。确定了室温Sr₂Na(NbO₃)₅(以下略为S₂N)相为四方钨青铜结构。其点阵常数为a=12.36?,c=3.906?.LiNbO₃在S₂N相内的溶解度可达～10mol％,当LiNbO₃含量超过5mol％时,S₂N相畸变为S₂N′相。S₂N′相为正交晶系。实验确定室温S₂N(S₂N′)相系亚稳相。在900-1100℃长时间退火即分解为SrNb₂O₆和以NaNbO₃为基的固溶体的混合物。 关键词：     

Electromagnetic Properties of S11 States in a Light Cone Quark Model

Using relativistic spin-flavor wave functions of a Lorentz-covariant light cone quark model, we calculate the electromagnetic form factors of two S11 resonances, N（1535） and N（1650）, and the helicity amplitudes A1/2 and S1/2 for electroexcitation of the S11 resonances from the nucleon. The electromagnetic form factors of these S11 resonances are found to be similar to those of the nucleon in shape, while the charge form factor of neutral N（1650） is nearly zero. The relative peak height of the S11 charge form factors is controlled by the mixing angle common to both resonance wave functions. As in most quark models, there is a systematic overestimate of A1/2 in both N（1535） and N（1650） cases at the photon point. A sizeable S1/2 for all cases is produced as suggested by experiments.     

热分解含硫金属有机配合物制备近红外PbS量子点

以Pb(NO₃)₂, Na(S₂CNEt₂)·3H₂O为反应物, 在去离子水中合成含硫金属有机配合物Pb(S₂CNEt₂)₂. 氩气保护下, 在油酸和十八烯混合溶液中热分解前躯体Pb(S₂CNEt₂)₂, 反应时间分别为30, 60, 90, 120 min, 获得PbS量子点样品a, b, c, d. 通过红外光谱分析和热重-差热等手段对前躯体进行表征, 证明配体Na(S₂CNEt₂)·3H₂O中的两个硫原子与Pb²⁺配位成功. PbS量子点样品X射线衍射和透射电子显微镜分析表明, 合成的PbS为类球形纯立方晶系PbS纳米晶; 对PbS量子点样品紫外-可见吸收光谱和光致发光谱进行研究发现, 吸收光谱和光致发光谱随着反应时间的增加顺序红移, 表明优化热分解反应时间可以调控PbS量子点的吸收光谱和光致发光谱. PbS量子点样品a发射峰在1080 nm, 与硅基太阳能电池相匹配, 可作为硅基荧光太阳能聚集器的荧光材料. 关键词： 热分解法 含硫金属有机配合物 PbS量子点 反应时间     

一种减少空间调制快拍成像测偏仪伪信息的方法

空间调制快拍成像测偏技术能将偏振信息编码到一幅干涉图中,通过一次测量同时获取目标全部斯托克斯参量.针对空间调制快拍成像测偏技术中,目标像的高频部分对偏振信息通道产生串扰,导致重构的偏振信息包含有伪信息和频域重构目标像的空间分辨率低等问题,提出一种消除伪信息和获取全分辨率目标像的方法.该方法通过对两次快拍测量获得的干涉图进行简单加减运算,便可获得探测目标清晰的纯图像和高信噪比的偏振分量干涉图.本文对该方法进行了详细的理论分析,并通过计算机仿真和搭建实验平台,验证了该方法的可行性.这为空间调制快拍成像测偏技术获取全分辨率目标像和高质量重构偏振信息提供了新思路.     

Structural evolution study of additions of Sb_2S_3 and CdS into GeS_2 chalcogenide glass by Raman spectroscopy

The structures of pseudo-binary GeS_2–Sb_2S_3, GeS_2–CdS, Sb_2S_3–CdS, and pseudo-ternary GeS_2–Sb_2S_3–CdS chalcogenide systems are systematically investigated by Raman spectroscopy. It is shown that a small number of [S_3Ge–GeS_3]structural units(SUs) and-S-S-/S8 groups exist simultaneously in GeS_2 glass which has a three-dimensional continuous network backbone consisting of cross-linked corner-sharing and edge-sharing [GeS_4] tetrahedra. When Sb_2S_3 is added into GeS_2 glass, the network backbone becomes interconnected [GeS_4] tetrahedra and [SbS_3] pyramids. Moreover, Ge atoms in[S_3Ge–GeS_3] SUs tend to capture S atoms from Sb_2S_3, leading to the formation of [S_2Sb–SbS_2] SUs. When CdS is added into GeS_2 glass, [Cd_4GeS_6] polyhedra are formed, resulting in a strong crystallization tendency. In addition, Ge atoms in[S_3Ge–GeS_3] SUs tend to capture S atoms from CdS, resulting in the dissolution of Ge–Ge bond. Co-melting of Sb_2S_3 or CdS with GeS_2 reduces the viscosity of the melt and improves the homogeneity of the glass. The GeS_2 glass can only dissolve up to 10-mol% CdS without crystallization. In comparison, GeS_2–Sb_2S_3 glasses can dissolve up to 20-mol% CdS,implying that Sb_2S_3 could delay the construction of [Cd_4GeS_6] polyhedron and increase the dissolving amount of CdS in the glass.     

49S里德堡态的射频双光子光谱

在室温铯原子蒸气池中, 由铯原子基态、激发态和里德堡态构建了阶梯型三能级系统, 研究了里德堡原子阶梯型三能级系统的电磁感应透明(EIT). 在实现电磁感应透明的基础上, 利用16.9 GHz的射频电场耦合相邻的原子里德堡态, 实现49S_1/2→47D_3/2的双光子跃迁, 测量了里德堡原子的射频双光子光谱, 观察到了电磁感应透明光谱的分裂, 进一步研究了电场强度对射频双光子光谱的影响. 利用里德堡原子的EIT效应可实现对射频电场幅值和极化的精密测量, 具有潜在的应用前景.     

Theoretical study on the mechanism for the excited-state double proton transfer process of an asymmetric Schiff base ligand

Excited-state double proton transfer (ESDPT) in the 1-[(2-hydroxy-3-methoxy-benzylidene)-hydrazonomethyl]-naphthalen-2-ol (HYDRAVH₂) ligand was studied by the density functional theory and time-dependent density functional theory method. The analysis of frontier molecular orbitals, infrared spectra, and non-covalent interactions have cross-validated that the asymmetric structure has an influence on the proton transfer, which makes the proton transfer ability of the two hydrogen protons different. The potential energy surfaces in both S₀ and S₁ states were scanned with varying O-H bond lengths. The results of potential energy surface analysis adequately proved that the HYDRAVH₂ can undergo the ESDPT process in the S₁ state and the double proton transfer process is a stepwise proton transfer mechanism. Our work can pave the way towards the design and synthesis of new molecules.     

Rydberg原子nS1/2→(n+1)S1/2双光子激发EIT-AT光谱

主要研究了热原子蒸气池中铯Rydberg原子nS_1/2→(n+1)S_1/2微波耦合的双光子光谱.铯原子基态(6S_1/2)、第一激发态(6P_3/2)、Rydberg态(69S_1/2)形成阶梯型三能级系统,弱探测光作用于基态到激发态6S_1/2→6P_3/2的跃迁,强耦合光则作用于6P_3/2→69S_1/2的Rydberg跃迁形成电磁感应透明(EIT)效应,实现对Rydberg原子的光学探测.频率fMW=11.735 GHz的微波场耦合69S_1/2→70S_1/2的Rydberg跃迁,形成微波双光子光谱.利用EIT-AT分裂光谱研究微波电场强度对双光子光谱的影响.研究表明:在强微波场作用时,EIT-AT分裂与微波场功率成正比,而弱微波场时的EIT-AT分裂与微波场功率成非线性依赖关系,理论计算与实验测量结果相一致.本文的研究对微波电场的精密测量具有一定的指导意义.     

Total Quantum Statistical Entropy of Reissner-Nordstrom Black Holes: in Dirac Field Case

The total quantum statistical entropy of Reissner-Nordstrom black holes in Dirac field case is evaluated in this article. The space-time of the black holes is divided into three regions: region 1 (r>r_o), region 2 ( r_o > r > r_i), and region 3 (r_i >r>0), where r_o is the radius of the outer event horizon, and r_i is the radius of the inner event horizon. The total quantum statistical entropy of Reissner-Nordstrom black holes is S=S₁+S₂+S₃, where S_i (i=1,2,3) is the entropy, contributed by regions 1,2,3. The detailed calculation shows that S₂ is neglectfully small. S₁=w_t(π²/45)k_b(A_o/ε²β³), S₃=-w_t(π²/45)k_b(A_i/ε²β³), where A_o and A_i are, respectively, the areas of the outer and inner event horizons, w_t=2^s[1- 2^-(s+1)], s=d/2, d is the space-time dimension, here d=4, s=2. As r_i approaches r_o in the extreme case the total quantum statistical entropy of Reissner-Nordstrom black holes approaches zero.     

Rydberg原子nS1/2→(n+1)S1/2双光子激发EIT-AT光谱

主要研究了热原子蒸气池中铯Rydberg原子nS_1/2→(n+1)S_1/2微波耦合的双光子光谱.铯原子基态(6S_1/2)、第一激发态(6P_3/2)、Rydberg态(69S_1/2)形成阶梯型三能级系统,弱探测光作用于基态到激发态6S_1/2→6P_3/2的跃迁,强耦合光则作用于6P_3/2→69S_1/2的Rydberg跃迁形成电磁感应透明(EIT)效应,实现对Rydberg原子的光学探测.频率fMW=11.735 GHz的微波场耦合69S_1/2→70S_1/2的Rydberg跃迁,形成微波双光子光谱.利用EIT-AT分裂光谱研究微波电场强度对双光子光谱的影响.研究表明:在强微波场作用时,EIT-AT分裂与微波场功率成正比,而弱微波场时的EIT-AT分裂与微波场功率成非线性依赖关系,理论计算与实验测量结果相一致.本文的研究对微波电场的精密测量具有一定的指导意义.     

Raman scattering and optical absorption in S2N2 and partially polymerized S2N2 films

Raman scattering and optical absorption measurements between 0.5 and 5.0 eV on crystalline films of S₂N₂ and partly polymerized S₂N₂ have been made for the first time. The Raman active molecular and librational phonons have been observed and assigned. The Raman spectra of partly polymerized S₂N₂ show the appearance of weak scattering at 635 cm⁻¹ and appreciable broadening of the librational phonon peaks. Optical absorption maxima occur at 4.0 and 4.7 eV in pure S₂N₂ at 14 K, while absorptions at 0.86, 1.1 and 4 eV evolve with increasing polymerization.     

CdSeS合金结构量子点的多激子俄歇复合过程

多激子效应通常是指吸收单个光子产生多个激子的过程,该效应不仅可以为研究基于量子点的太阳能电池开拓新思路,还可以为提高太阳能电池的光电转换效率提供新方法.但是,超快多激子产生和复合机制尚不明确.这里以CdSeS合金结构量子点为研究对象,研究了其多激子生成和复合动力学.稳态吸收光谱显示, 510, 468和430 nm附近的稳态吸收峰,分别对应1S_(3/2)(h)-1S(e)(或1S), 2S_(3/2)(h)-1S(e)(或2S)和1P_P(3/2)(h)-1P(e)(或1P)激子的吸收带.通过飞秒时间分辨瞬态吸收光谱和纳秒时间分辨荧光光谱两种时间分辨光谱技术对CdSeS合金结构量子点的超快动力学进行了探究,结果显示, 1S激子的双激子复合时间大概是80 ps,这一时间比传统量子点的双激子复合时间(小于50 ps)延长了近一倍,结合最近发展的超快界面电荷分离技术,在激子湮灭之前将其利用起来,这一时间的延长将有很大的应用前景;其中,在2S和1P激子中除上述双激子复合外,还存在一个通过声子耦合路径的空穴弛豫过程,时间大概是5—6 ps.最后,利用纳秒时间分辨荧光光谱得到该样品体系单激子复合的时间约为200 ns.     

Approach to Perturbative QCD Results in Transition Amplitudes of Nucleon Negative-Parity Resonances

The scaling behaviors of the nucleon resonance transition amplitudes from perturbative QCD (PQCD) are utilized to parametrize the amplitudes of the first negative-parity nucleon resonance S₁₁(1535). Our analysis indicates that the constraints of the transition amplitude for the S₁₁ resonance at the limit Q²→∞ by QCD sum rule calculations are not applicable at a moderate Q² range of 2.5 ～ 4 GeV² compared with the present available data if the contribution of S₁₁ is dominant in the Q² limit.     

STATISTICAL REPRESENTATIONS OF FOURTH ORDER TENSOR WITH D∞h SYMMETRY ASSOCIATED WITH NEMATIC LIQUID CRYSTALS

Accepting that a macroscopic physical quantity may be considered as the statistical average of the ccrresponding molecular physical quantity,we present in this paper the expressions of all the nonvanishing fourth order tensor xijkl with D_∞h symmetry associ-ated with nematic liquid crystals-in terms of the corresponding molecular fourth order tensors yijkl and the order parameters S₂ and S₄.     

Theoretical verification of intermolecular hydrogen bond induced thermally activated delayed fluorescence in SOBF-Ome

Thermally activated delayed fluorescence (TADF) molecules have attracted great attention as high efficient luminescent materials. Most of TADF molecules possess small energy gap between the first singlet excited state (S₁) and the first triplet excited state (T₁) to favor the up-conversion from T₁ to S₁. In this paper, a new TADF generation mechanism is revealed based on theoretical simulation. By systematic study of the light-emitting properties of SOBF-OMe in both toluene and in aggregation state, we find that the single SOBF-OMe could not realize TADF emission due to large energy gap as well as small up-conversion rates between S₁ and T₁. Through analysis of dimers, we find that dimers with intermolecular hydrogen bond (H-bond) are responsible for the generation of TADF, since smaller energy gap between S₁ and T₁ is found and the emission wavelength is in good agreement with experimental counterpart. The emission properties of SOBF-H are also studied for comparison, which reflect the important role of H-bond. Our theoretical results agree ith experimental results well and confirm the mechanism of H-bond induced TADF.     

铯原子7S1/2态磁偶极超精细常数的测量

在室温下的原子气室中, 基于铯原子6S_1/2-6P_3/2-7S_1/2(852.3 nm+1469.9 nm) 阶梯型能级系统, 利用电光调制器的主频和±1级边带分别产生的三套双共振吸收光谱, 当驱动电光调制器的信号源频率严格等于7S_1/2态超精细分裂的能级间隔时, 三套谱线中的一些超精细跃迁谱线重叠且线宽最窄, 利用这一现象很好地避免了激光器频率扫描时非线性效应的影响, 测量出了7S_1/2 态超精细分裂能级间隔: 2183.72 MHz±0.23 MHz, 并计算出该态的磁偶极超精细常数: A_hfs= 545.93 m MHz±0.06 MHz, 与文献中报道的测量结果一致.     

Rydberg原子的微波电磁感应透明-Autler-Townes光谱

主要研究了室温下微波场缀饰的铯Rydberg原子的电磁感应透明-Autler-Townes(EIT-AT)光谱.首先,以铯原子6S_(1/2)→6P_(3/2)→50S_(1/2)形成阶梯型三能级系统,利用强耦合光作用于6P_(3/2)→50S_(1/2)的Rydberg跃迁,弱探测光耦合基态跃迁6S_(1/2)→6P_(3/2)并探测由耦合光形成的电磁感应透明(EIT)效应.然后,以频率为30.582 GHz的微波电场耦合相邻的Rydberg能级50S_(1/2)→50P_(1/2)产生微波AT分裂.利用Rydberg EIT探测微波耦合相邻Rydberg能级产生的AT分裂,形成EIT-AT光谱,进而实现微波电场的测量.当微波场的强度增加到一定值时,EIT-AT光谱表现为多峰光谱结构.分析EIT-AT多峰光谱的成因,发现这主要是由场的不均匀性导致的,一定的EIT-AT光谱特征对应于特定的非均匀场分布.研究表明,利用Rydberg EIT-AT光谱可以实现微波电场的测量,利用其光谱特征可实现微波场的实时监测,进而提出了一种提高微波场空间分辨率的测量方法.