n-羟基苯甲酸(n=p,m,o)在一种新的活性基底上的SERS研究(英文)

将银纳米颗粒覆盖在覆有铟锡氧化物的导电玻璃上,可以将其作为一种新型的表面增强拉曼散射(SERS)活性基底。将三种羟基苯甲酸分子作为探针分子在这种新的基底上进行检测,得到了很好的SERS信号,从中可反映出大量分子振动信息     

Paзлoжeниe пo 1Z для чapтpи-фoкoвcкoй и кoppeляциoннoй энepгии, peлятивиcтcкич пoпpaвoк, дипoльнoгo мaтpичнoгo элeмeнтa

Energies and dipole matrix elements have been calculated for He, Li, Be, B, C, N, O, F, and Ne-like ions (configurations 1s²2sⁿ¹2pⁿ²?1s²2s^n1?12pⁿ²⁺¹). The Hartree-Fock energy, the correlation energy, and relativistic corrections were taken into account. Relativistic corrections were obtained by computing the entire quantity H_B. Numerical results are presented for energies of the terms in the form

$\text{E=E}{}_0\text{Z}{}^2\text{+ ΔE}{}_1\text{Z + ΔE}{}_2\text{+}\text{1}\text{Z}\text{ΔE}{}_3\text{+}\text{α}{}^2\text{4}\text{(E}{}_0{}^{\mathrm{p}}\text{Z}{}^4\text{+ ΔE}{}_1{}^{\mathrm{p}}\text{Z}{}^3\text{)}$

, and for the fine structure of the terms in the form

$\text{〈1s}{}^2\text{2s}{}^{\mathrm{n1}}\text{2p}{}^{\mathrm{n2}}\text{LSJ|H}{}_{\mathrm{Б}}\text{|1s}{}^2\text{2s}{}^{\mathrm{n1\prime }}\text{2p}{}^{\mathrm{n2\prime }}\text{L′S′J〉=(?1)}{}^{\mathrm{L+S\prime +J}}\text{LSJ}\text{S′L′1}\text{×}\text{α}{}^2\text{4}\text{(Z?A)}{}^3\text{[E}{}^{\mathrm{(0)}}\text{(Z ? B)+}\text{E}{}_{\mathrm{c0}}\text{]+(?1)}{}^{\mathrm{L\; +\; S\prime \; +\; J}}\text{LSJ}\text{S′L′2}\text{α}{}^2\text{4}\text{(Z?A)}{}^3\text{E}{}_{\mathrm{cc}}$

. Dipole matrix elements are required for calculation of oscillator strengths or transition probabilities. For the dipole matrix elements, two terms of the expansion in $\text{1}\text{Z}$ have been obtained. Numerical results are presented in the form P(a, a′) = (a/Z)[1 + (τ/Z)].     

¹⁵C(d,p)¹⁶C reaction and exotic behavior in ¹⁶C

We have studied the 1?C(d,p)1?C reaction in inverse kinematics using the Helical Orbit Spectrometer at Argonne National Laboratory. Prior studies of electromagnetic-transition rates in 1?C suggested an exotic decoupling of the valence neutrons from the core in that nucleus. Neutron-adding spectroscopic factors give a different probe of the wave functions of the relevant states in 1?C. Shell-model calculations reproduce both the present transfer data and the previously measured transition rates, suggesting that 1?C may be described without invoking very exotic phenomena.     

铅原子6p7s—6p^2多重态谱线

原子内部各种相互作用决定原子能级,能级结构决定其原子光谱。本文以铅原子6p7s—6p~2跃迁所辐射的多重态谱线为例,计算各能级,分析电、磁性作用强弱。原理铅原子Z=82,基态电子组态[Xe]4f~(14)5d~(10)6s~26p~2,简记6p~2,基本属于LS耦合类型,该电子组态耦合各支能级(谱项),近似地遵循。     

A modification potential method of calculating total cross sections of electrons scattering from complex molecules C2H6, C2F6, C6H6 and C6F6 at 100 eV-5000 eV

A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is first employed to calculate the total cross sections for electrons scattering from such complex molecules as C总交叉断面 电子散射 添加规则 原子分子碰撞 电子云total cross section, electrons scattering, additivity rule, atomic and molecular collisionProject supported by the National Natural Science Foundation of China (Grant No 10574039).2005-11-102005-11-102005-11-30A complex optical model potential modified by incorporating the concept of bonded atom, which takes into consideration the overlapping effect of electron clouds between two atoms in a molecule, is first employed to calculate the total cross sections for electrons scattering from such complex molecules as C2H6, C2F6, C6H6 and C6F6 using the aclditivity rule model at Hartree-Fock level over the energy range from 100 eV to 5000 eV. The total cross sections are quantitatively compared with those obtained by experiments wherever available, and they are in good agreement with each other over a wide energy range. It is shown that the modified potential together with the additivity rule model is completely suitable for the calculation of total cross sections of electrons scattering from such complex molecules as C2H6, C2F6, C6H6 and C6F6 above 200 eV-300 eV.     

复合物o—C6H4F2.Ar的电子S1态的内部van der Waals振动

报道了复合物ｏ－Ｃ６Ｈ４Ｆ２．Ａｒ的电子Ｓ１态内ｖａｎ ｄｅｒ Ｗａａｌｓ（ｖｄｗ）振动的实验和理论研究。在超声束中,利用双光子共振电离光谱和飞行时间质谱技术,揭示了Ｓ１←Ｓ０电子态跃迁涉及内ｖｄＷ振动的３个谱带。光谱分析表明,一＋１６．１ｃｍ＾－１是Ａｒ沿ｏ－Ｃ６Ｈ４Ｆ２分子对称面内的振动模的基频跃迁。     

范德瓦尔斯分子p—C6H4FCH3...Ar外部振动的共振双光子电离光谱

利用单色共振双光子电离光谱技术研究了ｐ－Ｃ６Ｈ４ＦＣＨ３与Ａｒ形成的范德瓦尔斯分子ｐ－Ｃ６Ｈ４ＦＣｈ３．．．Ａｒ电子太跃迁Ｏ带附近的光谱，观察到了许多谱带。分析表明，这些谱带，除来自于甲基ＣＨ３内转动跃迁外，都可以归属为Ａｒ相对于ｐ－Ｃ６Ｈ４ＦＣＨ３的振动跃迁。在用三维谐湃郛波函数一组合作为基和内德－琼斯作用的基础上，借助量子力学方法计算了ｐ－Ｃ６Ｈ４ＦＣＨ３．．．Ａｒ分子中范德瓦斯振动的能级，计