Reactivity of a N-Coordinated Germylene-Borane Complex: From Ge→B to Ge→Ga Coordination

Reactivity studies of the Ge^II→B complex L(Cl)Ge⋅BH₃ ( 1 ; L=2-Et₂NCH₂-4,6-tBu₂-C₆H₂) were performed to determine the effect on the Ge^II→B donation. N-coordinated compounds L(OtBu)Ge⋅BH₃ ( 2 ) and [LGe⋅BH₃]₂ ( 3 ) were prepared. The possible tuning of the Ge^II→B interaction was proved experimentally, yielding compounds 1-PPh₂-8-(LGe)-C₁₀H₆ ( 4 ) and L(Cl)Ge⋅GaCl₃ ( 5 ) without a Ge^II→B interaction. In 5 , an unprecedented Ge^II→Ga coordination was revealed. The experimental results were complemented by a theoretical study focusing on the bonding in 1 − 5 . The different strength of the Ge^II→E (E=B, Ga) donation was evaluated by using energy decomposition analysis. The basicity of different L(X)Ge groups through proton affinity is also assessed.     

Interface-related effects on confined excitons in GaAs/AlxGa1−xAs single quantum wells

Confined excitons in non-abrupt GaAs/Al_xGa_1−xAs single quantum wells are studied. The graded interfaces are described taking into account fluctuations in their thickness a and positioning with respect to the abrupt interface picture. Numerical results for confined (0,0),(1,1) and (0,2) excitons in GaAs/Al_0.3Ga_0.7As quantum wells show that while the interfacial fluctuations produce small changes (<0.5 meV) in the exciton binding energies, the confined exciton energies can be red- or blue-shifted as much as 25 meV for wells with mean width of 50 Å and 2 ML wide interfaces.     

Exciton energy broadening due to interface fluctuations in ZnSe/ZnSxSe1−x strained quantum wells

The excitonic properties of a ZnSe/ZnS_xSe_1−x strained quantum well (QW) are calculated taking into account interface effects. Numerical results obtained with ZnS_0.18Se_0.82/ZnSe QWs show that graded interfaces can be responsible for a strong broadening of excitonic spectra.     

Discovery of a new long-lived isomeric state in 125Ce

A new long-lived isomeric state in the near proton dripline nucleus ¹²⁵Ce has been identified with Schottky mass spectrometry at GSI. The excitation energy E ^* = 103(12)keV and the decay time of 193(1)s have been obtained from a single stored fully ionized ^125m Ce⁵⁸⁺ ion. The data implies an E3 transition and a 1/2⁺ assignment for the spin of the isomer.     

Systematic formulations for electronegativity and hardness and their atomic scales within density functional softness theory

A unified Mulliken valence with Parr ground‐state electronegativity picture is presented. It provides a useful analytical tool on which the absolute hardness as well ionization potential and electron affinity functionals are based. For all these chemical reactivity indices, systematic approximate density functionals are formulated within density functional softness theory and are applied to atomic systems. For the absolute hardness, a special relationship with the new electronegativity ansatz and a particular atomic trend paralleling the absolute electron affinity are established that should complement and augment the earlier finite‐difference energetic approach. © 2005 Wiley Periodicals, Inc. Int J Quantum Chem, 2006     

修饰聚合物液-固亲和萃取体系纯化大豆中的组氨酸

聚乙二醇(PEG)6000经亚氨基二乙酸(IDA)修饰后和CuSO4反应,形成PEG修饰聚合物PEG-(IDA-Cu)2 ,与吐温80、磷酸盐混合,构成液-固亲和萃取体系,直接从大豆蛋白匀浆中提取氨基酸.选定萃取条件为磷酸盐摩尔比n(K2HPO4)∶n(NaH2PO4)为4.8∶1,体系pH值 7.70,总盐浓度为1.60 mol·L-1;吐温80的体积分数为10.5%.结果表明该体系对大豆蛋白匀浆中氨基酸的二次萃取率为66.5%,用离子交换技术后继处理,得纯度较高的组氨酸.     

Quantum-Chemical Evaluation of the Protolytic Properties of Thiophenols

The enthalpies and free energies of proton affinity (PA) were calculated by the PM3 method for 27 thiophenoxide anions. For thiophenols, linear correlation has been found between the PAs and the values of pK _a measured by different authors in aqueous acetone, aqueous ethanol, and methanol media. The dependences found permit one to predict a priori the protolytic properties of thiophenols. The differential effects of aqueous ethanol media with different ethanol contents on thiophenol acidity were evaluated based on quantum-chemical data.Original Russian Text Copyright © 2004 by A. N. Pankratov and A. V. Shalabai__________Translated from Zhurnal Strukturnoi Khimii, Vol. 45, No. 5, pp. 800–806, September–October, 2004.     

Spectroscopy on very neutron-rich nuclei beyond N = 20

Recent studies on nuclear structure by using radioactive isotope beams available at the RIKEN projectile-fragment separator (RIPS) are introduced. Special emphasis is given to two selected experiments from recent programs that highlight studies on the magicity loss observed for very neutron-rich nuclei beyond N = 20 in the “island-of-inversion” region; the particle stability of ³¹F, and the low-lying excited states of ³⁴Mg. Received: 1 May 2001 / Accepted: 4 December 2001     

Synthesis and optical properties of a poly(p‐phenylenevinylene) derivative and polyfluorenes with bipolar groups along the main chain

A poly(p‐phenylenevinylene) derivative (PPV–TPA)] and a series of statistical copolyfluorenes (PF–TPA)] containing oxadiazole and triphenylamine segments along the main chain were synthesized by the Heck reaction and nickel‐mediated coupling, respectively. The PF–TPA copolyfluorenes with relatively low contents of oxadiazole and triphenylamine units were readily soluble in common organic solvents, whereas the other copolyfluorenes displayed lower solubility. PPV–TPA showed excellent solubility in solvents such as tetrahydrofuran (THF), dichloromethane, chloroform, and toluene. Thin films of the polymers absorbed light in the range of 375–396 nm and had optical band gaps of 2.76–2.98 eV. They emitted blue‐green light with a maximum at 414–522 nm. The fluorescence quantum yields in THF solutions were 0.08–0.53. The copolyfluorene PF–TPA thin films with high contents of oxadiazole and triphenylamine moieties emitted pure blue light that remained stable even after annealing at 150 °C for 4 h in air. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 3556–3566, 2006     

氯化钠团簇的形成规律与结合能计算

当离子蒸气冷凝形成团簇时，其结构表现出特定的规律。文中对不同大小不同形状的氯化钠团簇结构与结合能进行了计算，以求揭示离子蒸气冷凝形成团簇的一些规律，并与实验结果进行对照。