Squeezing a helium nanodroplet with a Rydberg electron

We have investigated, by means of density functional theory, the structure of a "scolium", that is, an electron circulating around a positively charged 4He nanodroplet, temporarily prevented from neutralization by the helium-electron repulsion. The positive ion core resides in the center of the nanodroplet where, as a consequence of electrostriction, a strong increase in the helium density with respect to its bulk value occurs. The electron enveloping the 4He cluster exerts an additional electrostatic pressure which further increases the local 4He density around the ion core. We argue that under such pressure, sufficiently small 4He nanodroplets may turn solid. The stability of a scolium with respect to electron-ion recombination is investigated.     

A pyrazolate-supported Fe(3)(mu(3)-O) core: structural, spectroscopic, electrochemical, and magnetic study

A comparison is made between the structural, spectroscopic, electrochemical, and magnetic properties of pyrazolate versus carboxylate complexes [Fe3(mu3(mu3O)(mu-LL)6Cl3]2- containing the Fe3(mu3-O)-motif. While the Fe3(mu3-O)-cores are structurally indistinguishable in the two types of complexes, their magnetic properties deviate from the expected values as a result of a through-pyrazole contribution to the overall antiferromagnetic exchange with J1/hc = -80.1 cm(-1) and J2/hc = -72.4 cm(-1), or J1/hc = 70.6 cm(-1) and J2/hc = -80.8 cm(-1), (Hex = -J1(S1S2 + S2S3) - J2S1S3). The magnetic properties of the pyrazolate complexes are further tuned by an antisymmetric exchange interaction term.     

Combinatorial synthesis and hydrogenation of Mg/Al libraries prepared by electron beam physical vapor deposition

We have grown thin film libraries of the Mg-Al system using a high-throughput synthesis methodology that combines the sequential deposition of pure elements (Mg and Al) by an electron-beam (e-beam) evaporation technique and the use of a special set of moving shadow masks. This novel mask has been designed to simultaneously prepare four identical arrays of different compositions that will permit the characterization of the same library after several treatments. Wavelength dispersive spectroscopy (WDS) and micro-X-ray diffraction have been used as high-throughput screening techniques for the determination of the composition and structure of every member of the library in the as-deposited state and after hydrogenation at 1 atm of H2 during 24 h at three different temperatures: 60, 80, and 110 degrees C. We have analyzed the influence of the Mg-Al ratio on the hydrogenation of magnesium, as well as on the appearance of complex hydride phases. We have also found that aluminum can act as a catalyzer for the hydrogenation reaction of magnesium.     

β-羰基砜的相转移烃化反应

在相转移催化剂TEBA存在下,以固体碳酸钾为碱,β-羰基砜与卤代烃在乙睛中于40-50 C加热,即可顺利发生一元烃化反应.     

Structural function theory of generalized variational principles for linear elastic materials with voids

In this paper,we have obtained generalized variational principles for linear elasticmaterials with voids from structural function theory.Correspondent relations betweenstructural functions and generalized variational principles are given.     

浅论化学教学中的灾害教育

本文论述了在中等化学教学中渗透灾害教育能改善学生对化学的认识,促进学生对化学知识的掌握和能力发展,增强学生应付挫折和灾害的心理承受能力与自救、救助能力,锻炼学生意志,提高道德品质和科学素养。     

(110)取向La0.67Sr0.33MnO3-δ外延膜的结构和磁电阻效应研究

采用直流磁控溅射法在(110)LaAlO3单晶基片上制备了La0.67Sr0.33MnO3-δ外延膜,系统地研究了样品的结构以及基片温度、外磁场对磁电阻效应的影响.将LSMO/(110)系列样品与LSMO/(001)系列样品的电阻率对比之后,发现基片的不同取向对该系列样品的电输运性质有很大的影响.原因是在不同取向时,氧原子进入薄膜的几率不同,导致Mn+3/Mn+4的比率不同,使得晶格常数、Mn+3和Mn+4与O-2之间的相互作用和原子磁矩的取向发生了变化,从而引起了金属到半导体的转变温度Tp移向高温区域和电阻率明显下降.     

Preparation, structure, magnetic properties and special magnetoresistance effect of Lao.67Sr0.33Mn03+δ/Pr0.7Cao.3 Mn03+δ/Lao.67Sro.33Mn03+δ trilayered thin films

The La_0,67Sr_0.33Mn0_{3 +δ}/Pr_0.7Ca_o.3Mn0_3+δ/La_0.67Sr_0.33Mn0_3+δ(LPL) trilayered films on (100)LaA-1O₃ substrates are prepared by using direct current (DC) magnetron sputtering method. The results obtained by means of X-ray powder diffractometer show that all films are the high quality epitaxial films. The results gained by SQUID magnetometer indicate that there is a magnetic coupling in the LPL trilayered films. The resistivities of LSMO, PC-MO and LPL films are measured using standard four-probe method and analyzed log_p-1/T curve. From the results it is concluded that the middle-layered PCMO which is ferromagnetic may play a role of intra-magnetic field, which weakens the paramagnetism of LSMO film, lowersp _max and enlargesT _p which is the transition temperature from metal to insulator, just as the applied magnetic field does. And the middle-layered PCMO may induce the change of the density of states in the LSMO’s gap. The two reasons above make the resistivity andT _p of the samples in zero field change with the thickness of PCMO layers. Project supported by the Chinese Academy of Sciences and the Foundation of State Science and Technology Commission of China.     

Solving triangular algebraic systems by means of simultaneous iterations

Our aim in this paper is to extend a variant of the Weierstrass method for the simultaneous computation of the solutions of a triangular algebraic system of equations. The appropriate tools are the symmetric functions of the roots of a polynomial. Using these symmetric functions we give another equivalent formulation for the search of all the roots of a triangular algebraic system. Using the latter formulation our method consists in solving a more simple system (where partial degrees of all the equations do not exceed 1) by Newton’s method. The quadratic convergence of our method is an immediate consequence of Newton’s method and need not be proved explicitly. This revised version was published online in June 2006 with corrections to the Cover Date.     

Microscopic and Molecular Insights into Heterogeneous Phase Degradation of Agars and Carrageenans by Marine Bacterial Galactanases

Agars and carrageenans are sulfated galactans and are the main matrix component of the cell wall of red algae. They form gels made of a 3D network of fibres built by the aggregation of polysaccharide double-helices. Agarases and carrageenase are enzymes produced by marine bacteria involved in the conversion of algal biomass. We have analyzed the structures and the modes of action of these enzymes adapted to the degradation of anionic polysaccharides in heterogeneous phase. We found that κ- and ι-carrageenases proceed via an endo-processive mode of action as it was already described for other enzymes active on neutral polysaccharides (cellulose, starch).