乳酸配合物(NH4)2[Sr(C3H5O3)4]的晶体结构、Hirshfeld表面分析和溶液化学性质

合成了无水乳酸配合物(NH₄)₂[Sr(C₃H₅O₃)₄]。用X射线单晶衍射仪对该配合物的晶体结构进行了表征,确定了其组成、空间结构和配位方式。绘制了配合物的Hirshfeld表面和2D指纹图,揭示了分子间的相互作用以及该配合物具有多个配位位点和较强的配位活性。根据相关的晶体数据计算出了该配合物的晶格能及其对应阴离子的摩尔体积,计算得到该配合物的晶格能为2742.9 kJ·mol^-1。用等温环境反应-溶解量热计测量了该配合物在298 K超纯水溶剂中的溶解焓。根据Pitzer电解质溶液理论,在298 K下获得了该配合物的无限稀释摩尔溶解焓△_sH_m^∞和Pitzer参数,确定该配合物的△_sH_m^∞为(114.01±0.04) kJ·mol^-1。计算了该配合物的表观相对摩尔焓(^ΦL)以及不同浓度下溶质和溶剂的相对偏摩尔焓(L₁和L₂)。最后,根据晶格能和△_sH_m^∞设计了热化学循环,并计算出了阴离子的水合焓值。热重和微商热重曲线进一步揭示了该配合物的结构。     

Electric and thermo spin transfer torques in Fe/Vacuum/Fe tunnel junction

We present first-principle calculations of electric and thermo spin transfer torques (STT) in Fe/Vacuum(Vac)/Fe magnetic tunnel junctions (MTJs). Our quantitative studies demonstrate rich bias dependence of STT and tunnel magneto resistance (TMR) behaviors with respect to the interface roughness. Thermoelectric effects in Fe/Vac/Fe MTJs is remarkable. We observe larger ZT of 6.2 in 8 ML clean Vacuum barrier, where the heavily restrained thermal conductance should be responsible for. Thermo-STT in Fe/Vac/Fe MTJs show same order as that in Fe/MgO/Fe MTJs with similar barrier thickness.     

Ripening of single-layer InGaAs islands on GaAs（001）

The present paper discusses our investigation of InGaAs surface morphology annealed for different lengths of time.After annealing for 15 min,the ripening of InGaAs islands is completed.The real space scanning tunneling microscopy(STM) images show the evolution of InGaAs surface morphology.A half-terrace diffusion theoretical model based on thermodynamic theory is proposed to estimate the annealing time for obtaining flat morphology.The annealing time calculated by the proposed theory is in agreement with the experimental results.     

网纹红土中铁矿物与粘土矿物赋存关系的X射线衍射证据

高纯度的粘土矿物样品是粘土矿物学重建古气候的关键,然而,土壤中的铁矿物(如针铁矿和赤铁矿等)和有机质的存在导致粘土矿物与非粘土矿物相互包裹,使富集的粘土矿物样品常含有其他矿物杂质。土壤沉积物中有机质去除的研究已较为充分,但铁矿物在土壤沉积物中的赋存状态倍受争议,制约了高纯度粘土矿物样品的制备。该研究将以长江中下游九江网纹红土作为研究对象,通过逐级分离试验对网纹红土中铁矿物与粘土矿物的赋存关系进行研究,为土壤沉积物中铁矿物的去除提供一定的启示。试验结果表明,针铁矿和赤铁矿等铁矿物可能主要呈现被膜状吸附在羟基间层蒙脱石和伊利石的表面,也有部分被高岭石吸附。     

“海纹石”的矿物学及谱学特征研究

“海纹石”是具有蓝色条带的针钠钙石,是一种稀有的宝石材料,具有较好的市场前景。为查明其矿物学特征及成因,采用常规宝石学测试并结合X射线衍射(XRD)、傅里叶红外吸收光谱(FTIR)、拉曼光谱(Raman)、扫描电镜(SEM)及紫外-可见分光光度计(UV-Vis)等现代测试方法,对“海纹石”不同颜色部分的矿物成分及特征进行了深入分析。XRD,FTIR,Raman分析结果表明,“海纹石”的主要组成矿物为针钠钙石,并含有少量的方解石,与SEM分析结果较为一致。FTIR分析显示,“海纹石”白色部分在1 500 cm-1处出现一个明显的宽吸收带并伴有883和710 cm-1的吸收峰,表明含有少量方解石,而蓝色部分在该处没有此吸收。紫外可见吸收光谱分析显示蓝色部分在可见光区有640 nm宽吸收峰,表明可能含有微量元素Cu。“海纹石”白色和蓝色部分矿物组分的差异,表明两者可能形成于不同的地质环境。     

Impacts of higher-order dispersions and saturable nonlinearities on modulation instability in negative-refractive metamaterials

On the basis of the standard linear stability analysis and Drude electromagnetic model,the impacts of higher-order dispersions and three kinds of typical saturable nonlinearities on modulation instability(MI) have been analyzed and calculated for negative-refractive metamaterials(MMs).Our results show that the MI gain spectra consist of only one spectral region instead of one or two regions in ordinary materials,which may be close to or far from the zero point.Particularly,the spectrum far from the zero point has a high cut-off frequency but a narrow spectral width,which is obviously beneficial to the generation of high-repetition-rate pulse trains.Moreover,MI characteristics here will vary with the normalized angular frequency which can be modified by adjusting the structures of negative-refractive MMs,signifying the controllability of bistable solitons and MI based applications.The effects of saturable nonlinearities are similar to those in ordinary materials.     

蝴蝶翅膀表面水滴各向异性黏附性质

采用扫描电子显微镜(SEM)观察了双带闪蝶(Morpho Achilles)翅膀表面的微观形貌, 通过样品的表观接触角表征了其浸润性, 采用高敏感性微电力学天平比较了水滴在蝴蝶翅膀表面不同方向运动时受到的黏附力. 实验结果表明, 水滴沿着干燥的蝴蝶翅膀鳞片堆叠方向运动时受到的黏附力要明显小于其它方向运动时受到的力, 且受力较稳定; 当蝴蝶翅膀被水滴浸润后, 水滴沿着湿润的蝴蝶翅膀鳞片堆叠方向运动时受到的黏附力接近甚至大于逆着鳞片堆叠方向运动时受到的力.     

十六烷基三羟乙基溴化铵促进1-辛烯氢甲酰化水/有机两相反应研究

研究了水/有机两相体系中表面活性剂十六烷基三羟乙基溴化铵(CTHAB)对Rh/TPPTS (TPPTS: 三[间-磺酸钠基苯基]膦)催化的1-辛烯氢甲酰化反应的促进作用, 初步证实了CTHAB分子中的羟基可与催化活性物种的铑之间发生配位. 与传统表面活性剂十六烷基三甲基溴化铵(CTAB)相比, 表面活性剂CTHAB的添加不仅加速了水/有机两相1-辛烯氢甲酰化反应, 而且提高了成醛的正/异比, 促进作用明显. 在 [Rh]=0.8 mmol/L, [TPPTS]/[Rh]=40, [CTHAB]=4.0 mmol/L, 90 ℃, 0.5 MPa, 1.5 h时, 生成醛的TOF为497 h^-1, 正/异比(L/B)可达25.6. 催化剂经7次循环后, 反应活性和成醛正/异比无明显下降. 该催化体系对不同长链烯烃氢甲酰化反应同样具有促进作用.     

Quantum Effects on Global Structure of Liquid Water

The structure difference between light and heavy liquid water has been systematically in-vestigated by high precision Raman spectroscopy over the temperature range of 5-85 oC. Distinct difference between the Raman spectral profiles of two different liquid waters is clearly observed. By analyzing the temperature-dependent Raman spectral contour using global fitting procedure, it is found that the micro-structure of heavy water is more ordered than that of light water at the same temperature, and the structure difference between the light and heavy water decreases with the increase of the temperature. The temperature off-set, an indicator for the structure difference, is determined to vary from 28 oC to 18 oC for the low-to-high temperature. It indicates that quantum effect is significantly not only at low temperature, but also at room temperature. The interaction energy among water moleculeshas also been estimated from van't Hoff's relationship. The detailed structural information should help to develop reliable force fields for molecular modeling of liquid water.     

藏药柳茶叶乙醇水提取物中化学成分的鉴定

采用多种色谱分离技术对藏药柳茶叶80%乙醇提取物进行分离纯化,得到了9个化合物。 根据其理化性质与NMR谱数据对化合物进行了结构鉴定,分别为金丝桃苷（hyperoside,Ⅰ）、槲皮素（quercetin,Ⅱ）、芸香苷（rutin,Ⅲ）、槲皮素3-O-β-D-吡喃葡萄糖苷（quercetin-3-O-β-D-glucopyranoside,Ⅳ）、儿茶素（catechin,Ⅴ）、香草酸（vanillic acid,Ⅵ）、熊果苷（arbutin,Ⅶ）、异阿魏酸（isoferulic acid,Ⅷ）和胡萝卜苷（daucosterol,Ⅸ）。 化合物中除Ⅳ、Ⅷ和Ⅸ外,其余6个化合物为首次从该属植物中分离鉴别。