紫细菌Rb. Sphaeroides 601外周捕光天线(LH2) B800吸收带的超快动力学研究

利用从紫细菌Rb.sphaeroides 601 所提取出的外周捕光天线LH2以及其不同pH值酸化样品(部分和全部去除B800分子LH2)并采用不同波长下的飞秒单色抽运探测技术详细研究了LH2中B800吸收带内的激发态动力学过程.通过对野生型与部分/完全去B800分子LH2的比较研究,分析了B800吸收带激发后所表现出的丰富变化的动力学过程,研究结果表明激发B800带的动力学过程中包含着B850上激子带的直接激发而产生的对激发态动力学的贡献.     

紫细菌Rb.Sphaeroides 601外周捕光天线(LH2) B800吸收带的超快动力学研究

利用从紫细菌Rb.sphaeroides 601 所提取出的外周捕光天线LH2以及其不同pH值酸化样品(部分和全部去除B800分子LH2)并采用不同波长下的飞秒单色抽运探测技术详细研究了LH2中B800吸收带内的激发态动力学过程.通过对野生型与部分/完全去B800分子LH2的比较研究，分析了B800吸收带激发后所表现出的丰富变化的动力学过程，研究结果表明激发B800带的动力学过程中包含着B850上激子带的直接激发而产生的对激发态动力学的贡献. 关键词： 紫细菌外周捕光天线LH2 部分和全部去除B800分子LH2 激发态动力学的演变 飞秒抽运探测     

N2（A）及N（2D）对IF（X）的传能研究

在微波放电系统中,对NH_3-F-F_2-CF_3I体系进行研究,结果表明,向IF(X)传能的诸多媒介中,N_2(A)及N(~2D)起着主要作用,并且这一结论在经微波激发后的N_2与CF_3I的直接反应中得到了进一步证实。     

Effect of the mutation of carotenoids on the dynamics of energy transfer in light-harvesting complexes （LH2） from Rhodobacter sphaeroides 601 at room temperature

Energy transfers in two kinds of peripheral light-harvesting complexes (LH2) of {Rhodobacter sphaeroides} (RS) 601 are studied by using femtosecond pump--probe spectroscopy with tunable laser wavelength at room temperature. These two complexes are native LH2 (RS601) and green carotenoid mutated LH2 (GM309). The obtained results demonstrate that, compared with spheroidenes with ten conjugated double bonds in native RS601, carotenoid in GM309 containing neurosporenes with nine conjugated double bonds can lead to a reduction in energy transfer rate in the B800-to-B850 band and the disturbance in the energy relaxation processes within the excitonic B850 band.     

粗糙目标样片光谱双向反射分布函数的实验测量及其建模

实验测量了紫红色和白色涂漆板在400～780 nm内的光谱双向反射分布函数(光谱BRDF),分析了光谱双向反射分布函数随波长及散射角的变化趋势与目标样片光学特性的关系.应用改进的粒子群算法,结合双向反射分布函数五参量模型,获得了测量光谱范围内各波长(间隔1 nm)对应的共381组五参量值.利用五参量模型计算了目标样片的光谱双向反射分布函数及其方向半球反射率(DHR),并与实验测量数据相比较,两者吻合良好,表明目标光谱双向反射分布函数建模方法与结果的可行性和可靠性.目标样片的光谱双向反射分布函数可以用来研究目标的光谱散射特性,对目标的探测、跟踪、识别和特征提取等具有重要的应用价值.     

基态Se2x（x=0,-1，+1,+2）分子离子的势能函数与垂直电离势

用原子分子反应静力学原理推导出了Se2x(x=0,+1,-1,+2)分子离子的基态电子状态及其离解极限.在6-311G**水平基础上,用B3LYP方法计算了Se2x(x=0,-1,+1,+2)分子离子的基态电子状态的平衡几何Re和离解能De及谐振频率;并在计算出来的一系列单点能基础上,用正规方程组拟合Murrell-Sorbie(M-S)势能函数,得到相应态的解析势能函数,由此计算对应的光谱参数和力学性质;计算了Se2+、Se22+的垂直电离势;计算表明Se2x(x=0,+1,-1,+2)分子离子是可稳定存在的.     

溴化硼分子及离子的势能函数与垂直电离势

为了弄清BBr在金属蚀刻中的机理 ,需了解BBrn(n =0、+ 1、+ 2 )分子及离子体系势能函数和稳定性的信息 ,用原子分子反应静力学原理推导出了BBrn(n =0、+ 1、+ 2 )的基态电子状态及其离解极限 .基于cc pVDZ基组 ,用B3LYP方法计算了他们的平衡几何、电子状态 ,在此基础上分别计算了BBr、BBr+ 的Murrell Sorbie解析势能函数和BBr2 + 的解析势能函数及其对应的力常数、光谱参数 .BBrn(n =+ 1、+ 2 )离子的垂直电离势为 :I+ =9.583 675eV ,I+ + =2 9.3 4 2 3 4eV .计算表明 ,BBr+ 、BBr2 + 的势能曲线均具有对应于稳定平衡结构的极小点 ,说明BBr+ 、BBr2 + 可稳定存在     

Ba(NO3)2晶体受激拉曼散射的角度分布和脉冲压缩

报道了利用重复频率为30 Hz,波长为532 nm 的Nd∶YAG倍频激光单次通过抽运硝酸钡（Ba(NO3)2）晶体（晶体由水溶液降温法生长,长度为48 mm,横截面为10 mm×10 mm）,获得高效率的一阶（563 nm）,二阶（599 nm）和三阶（639 nm）斯托克斯光的实验结果.硝酸钡晶体沿着［110］晶轴方向切割.观测到一、二、三阶斯托克斯光呈锥形环分布,一、二、三阶斯托克斯光的散射外边缘与抽运光轴线间的夹角大小分别为1.7°,3.5°,5.0°.同时也观测到Ba(NO3)2的SRS角度分布与抽运光强度无关.定性分析认定,Ba(NO3)2的SRS角度分布主要是由相位匹配过程决定的.测得抽运光、一、二、三阶斯托克斯光的脉宽分别为11.6 ns,9.8 ns,8.4 ns和4.5 ns.当抽运光功率密度约为150 W/cm2时,获得一、二、三阶斯托克斯光的最大光光转换效率,分别为33.5%,8.8%和3.4%. 此外,由于晶体中的热沉积效应,观察到了Ba(NO3)2晶体的SRS转换效率饱和现象.     

用能量自洽法研究双原子分子离子XY+的五阶解析势能函数

将用于研究双原子分子离子XY⁺解析势能函数的能量自洽法(energy consistent method for ion XY⁺,ECMI)从三阶推广到五阶,并将双原子分子离子XY⁺的三阶解析势能函数ECMI(3)推广为五阶的解析势能函数ECMI(5),研究CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的解析势能函数.结果表明,CO⁺的B²Σ⁺态和SO⁺的b⁴Σ^-态的新解析势能函数ECMI(5)势与基于实验的RKR数据符合得很好,优于常用的中性双原子分子势能函数Morse势、HMS势和双原子分子离子XY⁺的ECMI(3)势在这两个离子状态下的表现.不仅如此,ECMI势给出了对原子分子碰撞等诸多研究非常重要的正确理解极限和全程势能数据.     

春季南黄海表层海水中二氧化碳的分布特征及其影响因素

根据2007年4月南黄海区块(SYS)表层海水中二氧化碳分压(pCO₂)的连续走航数据,结合水温(T)、盐度(S)、叶绿素 (Chla)以及pH的同步观测资料,对该海域pCO₂分布特征及其主要影响因素进行了初步探讨。分析结果表明：春季南黄海pCO₂的范围在365.2~734.9 μatm之间,平均值为548.0 μatm;最高值出现在121.5°E,33.4°N海域,最低值出现在123°E,32.3°N海域。受海水中物理、化学和生物因素的综合影响,pCO₂的分布存在较大的不均匀性,总体上表现为西部高于东部,中间高于南北两边;在苏北浅滩和鲁南海区,pCO₂与水温的变化呈正相关关系,与盐度的大小呈明显的负相关关系,而在长江入海口变化趋势则相反;此外,在整个调查海区pCO₂与叶绿素、pH基本上呈负相关关系。研究将两台检测器串联进行互校,同时利用二氧化碳标准气体对其中一台仪器进行全程校准,可连续不间断观测海水和大气中的pCO₂。该方法操作简单,获得的数据准确可靠,可为节能减排能力建设提供技术支持。     

An investigation of local structures and EPR spectra for Cu2+ and VO2+ in biochar

Electron paramagnetic resonance (EPR) technology had been adopted to analyze the structures and properties of Cu²⁺ and VO²⁺ in Biochar (BG1 and BG2), but the local structural properties have not been clarified up to now. In present work, three possible structures (orthorhombically, rhombically and tetragonally elongated octahedra) are proposed for Cu²⁺ in BG1 and BG2 samples, and the former seems most reasonable in view of the best agreement between the theoretical EPR parameters based on the perturbation formulae and the experimental data. As for the VO²⁺ center, unlike the previous assignment of the tetragonally elongated [VO₅]⁶⁻ cluster based on the simple formulae of EPR parameters, presently proposed tetragonally compressed [VO₆]⁸⁻ cluster and the high order perturbation formulae of the EPR parameters yields good agreement with the observed values. This point is also supported by the d-d optical absorption ²B_1g →²B_2g for tetragonally compressed octahedral 3 d¹ systems.     

UV-Visible Spectrophotometric Investigations of Charge Transfer Complexes of Some P-N,N-Dimethylaminobenzylidene Ailines with the New Acceptor PFB and CA Acceptor

The CT complexes of PFB and CA acceptors with eleven benzylidene anilines donors have been investigated spectro-photometrically in the uv-visible region for the first time. The values of Ip of these compounds have been estimated from their complexes with CA, the values are in the range of 8.64–8.96 ev. From these values the constants of the new acceptor PFB a, b, c₁, c₂ and Ea have been calculated, the values are 0.91, -5.31, 7.13, 1.97, and 1.37 ev, respectively. The CT parameters of our donors with PFB and CA acceptors, ζCT, ^KCT ΔG° and W have also been estimated and discussed.     

Tb ions in presence of ZnS:Mn nanocrystals immobilized on silica: Energy transfer ZnS→Tb and coordination state of Mn ions

Three-component luminescent material consisting of silica xerogel as a support with immobilized ZnS:Mn²⁺ nanocrystals and Tb³⁺ ions was compared with such two-component materials as the silica support with ZnS:Mn²⁺ as well as the support with Tb³⁺. In each case the nanocrystals and the lanthanide ions were immobilized at silica surface by impregnation procedure. Size of the ZnS quantum dots doped with Mn²⁺ were estimated by Scherrer method from the X-ray diffraction (XRD) pattern. The materials have been characterized by EPR and optical spectroscopy techniques. EPR spectra allow to distinguish two different Mn²⁺ sites: the first is assigned to isolated Mn²⁺ substitutionally and incorporated into cubic ZnS lattice and the second is ascribed to the Mn²⁺ situated near the nanocrystal surface. From the optical spectra we have found that in the three-component material, energy transfer from excited ZnS:Mn²⁺ nanocrystals to Tb³⁺ ions takes place. The different mechanisms of such transfer are discussed.