Stereoselective synthesis of trifluoromethyl-substituted 1,2-diamines by aza-Michael reaction with trans-3,3,3-trifluoro-1-nitropropene

Aza-Michael addition of optically pure 4-phenyl-2-oxazolidinone to 3,3,3-trifluoro-1-nitropropene proceeds smoothly at low temperature with a high yield. Diastereoselectivity of the addition depends on the base used and lithiated species proved to be highly efficient affording 92% de. Optically pure 1,2-diamino-3,3,3-trifluoropropane is prepared in 58% yield from the aza-Michael addition product through a three-step procedure.     

High resolution electronic study of ONO, ONO and ONO: A rovibronic survey covering 11 800-14 380 cm

The 11 800-14 380 cm⁻¹ frequency range has been scanned for rotationally resolved rovibronic transitions in the A²B₂-X²A₁ electronic band system of the symmetric (C_2v) ¹⁶O¹⁴N¹⁶O and ¹⁸O¹⁴N¹⁸O isotopologues and in the corresponding electronic band system of the asymmetric (C_s) ¹⁸O¹⁴N¹⁶O isotopologue. The rotational analysis—reflecting minor differences in mass—in combination with symmetry induced spectral differences allows an identification of 68 ¹⁶O¹⁴N¹⁶O vibronic levels, 26 ¹⁸O¹⁴N¹⁸O vibronic levels and 51 ¹⁸O¹⁴N¹⁶O vibronic levels. The bands are recorded using near infrared fluorescence spectroscopy and a piezo valve based pulsed molecular beam expansion of premixed ¹⁸O₂ and ¹⁴N¹⁶O in Ar. The majority of the observed bands is rotationally assigned and can be identified as transitions starting from the vibrational ground state of one of the isotopologues. Numerous hot bands have also been identified. A comparison of the overall spectroscopic features of C_2v vs. C_s symmetric species provides qualitative information on symmetry dependence of vibronic couplings.     

塑料闪烁体的辐照特性

利用⁶⁰Co放射源分别对3种塑料闪烁体(BC-408, EJ-200, BC-404)进行辐照损伤研究, 比较辐照前后的透射谱、发射谱及光产额的变化, 发现3种闪烁体在低剂量具有较好的抗辐照性能; 当照射剂量超过1.44×10⁴Gy时,透射谱明显变坏, 光输出减少很严重, 但发射谱却保持不变.     

基于简单碰撞理论煤粉燃烧动力学模型的研究-PART Ⅲ:氧气可达比表面积

根据不同温度下氧分子平均自由程的大小,比较了小孔、中孔和大孔中三种扩散速率与煤焦表面燃烧速度的大小.研究表明2000 K以内,颗粒表面分子扩散速率比氧化反应速率大1个数量级以上,过度扩散速率不小于氧化速率.温度小于1200K时,燃烧速率比Knudsen扩散速率小1～5个数量级,扩散孔径小于15～28 nm,反应主要在内外表面进行;1200～1600K时,燃烧速率与Knudsen扩散速率相当,扩散临界孔径28～38 nm,反应在外表面及浅层内表面进行;温度1600K以上时,Knudsen扩散速率比燃烧速率小1个数量级,孔径38～50 nm以下内表面上碳的氧化速度受扩散控制.煤焦的氧化主要发生在Knudsen扩散临界孔径10～50 nm以上的氧气可达表面上.     

Hawking Absorption and Planck Absolute Entropy of Kerr-Newman Black Hole

We find the existence of a quantum thermal effect, “Hawking absorption.” near the inner horizon of the Kerr–Newman black hole. Redefining the entropy, temperature, angular velocity, and electric potential of the black hole, we give a new formulation of the Bekenstein–Smarr formula. The redefined entropy vanishes for absolute zero temperature of the black hole and hence it is interpreted as the Planck absolute entropy of the KN black hole.     

EACVD中用氢原子谱线测定电子平均能量

采用蒙特卡罗方法，对EACVD中氢原子的发射过程进行了模拟。给出了由氢原子谱线测定电子平均能量的方法，结果对EACVD生长金刚石薄膜过程中实时监测电子平均能量，进而可以有效地控制工艺条件，生长出高质量的金刚石薄膜具有重要意义。     

Halogen Bonding： An AIM Analysis of the Weak Interactions

A series of complexes formed between halogen-containing molecules and ammonia have been investigated by means of the atoms in molecules （AIM） approach to gain a deeper insight into halogen bonding. The existence of the halogen bond critical points （XBCP） and the values of the electron density （Pb） and Laplacian of electron density （V2pb） at the XBCP reveal the closed-shell interactions in these complexes. Integrated atomic properties such as charge, energy, polarization moment, volume of the halogen bond donor atoms, and the corresponding changes （△） upon complexation have been calculated. The present calculations have demonstrated that the halogen bond represents different AIM properties as compared to the well-documented hydrogen bond. Both the electron density and the Laplacian of electron density at the XBCP have been shown to correlate well with the interaction energy, which indicates that the topological parameters at the XBCP can be treated as a good measure of the halogen bond strength In addition, an excellent linear relationship between the interatomic distance d（X…N） and the logarithm of Pb has been established.     

弱耦合多原子半无限晶体中磁极化子的激发能量

近年来国内外对多原子极性晶体中磁极化子性质的研究十分活跃,Zorkani等采用变分法计算了束缚磁极化子的基态能量,Kandemir等采用束缚朗道态讨论了二维大磁极化子的基态和第一激发态能量,国内一些学者采用微扰法和新颖算符法讨论了多原子极性晶体中表面和体磁极化子的性质。采用线性组合算符和幺正变换,研究磁场中多原子半无限极性晶体中电子和光学声子弱耦合相互作用所产生的极化子的第一激发态能量及平均声子数。结果表明:当电子无限接近晶体表面时,磁极化子的基态能量仅为Landau能量;第一激发态能量为Landau基态能量的2倍;平均声子数等于各支与电子耦合的体光学声子数和表面光学声子数之和。而当电子处于晶体深处时,磁极化子的基态能量却为Landau基态能量与各支体光学声子以及表面光学声子分别耦合的能量之和;第一激发态能量仍为Landau基态能量的2倍;平均声子数等于各支与电子耦合的体光学声子数和与所处深度有关的各支体光学声子数之和,而与各支表面光学声子无关。     

短波通滤光片膜系设计

详细介绍用等效折射率概念设计短波通滤光片的原理和计算方法。根据原理和方法，选择二氧化钛（TiO2）作为高折射率材料、二氧化硅（SiO2）作为低折射率材料。首先从理论上计算出用这2种材料设计的波长λ=950～1150nm的短波通滤光片所需要的周期数，然后给出短波通滤光片的主膜系和光谱曲线。由于据此周期数设计出的膜系光谱曲线在750～810nm处的透过率不符合要求，因此对该膜系进行了改进。依照改进的设计进行多次制备，最终制备出了符合要求的短波通滤光片，找到了最佳制备工艺和方法。最后，对制备出来的短波通滤光片薄膜进行了各种环境实验。实验结果表明，膜层的各项指标符合设计要求。     

Raman spectroscopic study of ceramic Sr2Bi4Ti5O18

Raman spectra of ceramic Sr2Bi4Ti5O18 （SBTi5） are reported to consist of four different Raman bands. Temperature-dependent spectra reveal the relationship between the lattice vibration and the material＇s structure. There appears a relatively large change in structure of the material at about 273K, The anharmonic potential of the material has a great influence on its phonon mode full width at half maximum （FWHM）, which can be expressed by a function of temperature. Theoretical fittings of the FWHMs for the two modes at around 312 cm^-1 and 464cm^-1 indicate that the latter phonon mode is more anharmonic than the former one.