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101.
We computed by spin-polarized DFT the structure and the electronic properties of an infinite periodic wire constituted of planar Cu-bridged hydroxypyridone chelator base pairs and of a similarly stacked finite dimer. The Cu centers undergo electronic hybridization with the bases. There is an unpaired spin per plane, and the majority-spins manifest ordering: The ferromagnetic and antiferromagnetic phases are energetically degenerate. The total magnetization of the ferromagnetic wire depends linearly on the number of planes in the stack. The combination of interplane spin coupling and intraplane metal-hydroxypyridone coupling makes this system very appealing for electronic and magnetic device exploitation. 相似文献
102.
用 PCA 及 PLS 分步处理分光光度数据,有效降低了计算的维数。以该法对不同酸度体系的5-Br-PADAP-钴、镍、铜、锌分光光度数据进行了处理,定量分析结果良好。 相似文献
103.
104.
Yuan LF Yang J Wang H Zeng C Li Q Wang B Hou JG Zhu Q Chen DM 《Journal of the American Chemical Society》2003,125(1):169-172
Orientationally ordered structures of two-dimensional (2D) C(60) at low temperature have been investigated theoretically and experimentally. Using total energy optimization with a phenomenological potential, we find the ground state is a close packed hexagonal lattice in which all the molecules have the same orientation. Several local minima of the potential energy surface are found to be associated with other 1 x 1 lattices as well as 2 x 2 lattices. The energies of the orientational domain boundaries of the 1x1 lattices are also computed, and two kinds of which yield negative values. A majority of these theoretical findings are confirmed by our low-temperature scanning tunneling microscopy study of a 2D C(60) array supported on a self-assembled monolayer. 相似文献
105.
用自制的N-十二酰基-L-脯氨酸和N-十二酰基-L-脯氨酸-3,5-二甲基苯胺两种L-脯氨酸衍生物作手性流动相添加剂,在氨丙基硅烷化硅胶柱上,用正己烷/异丙醇作流动相,对多种手性化合物进行了高效液相色谱拆分。实验结果表明:用N-十二酰基-L-脯氨酸作添加剂拆分的12种手性化合物,有8种手性化合物能得到拆分,具有较好的手性选择性。虽然用N-十二酰基-L-脯氨酸-3,5-二甲基苯胺作添加剂,手性选择性也较好,但由于含有苯环,紫外吸收增强,基线波动严重。 相似文献
106.
107.
The vanadium trapping effect of Mg and La containing additives in cracking catalyst contaminated with 2300 ppm Ni and 4700 ppm V has been analyzed by microactivity test (MAT) and imaging secondary ion mass spectrometry (SIMS). The results of SIMS imaging are consistent with cracking activity data and show that the La/spinel is a superior vanadium trap for the fluid catalytic cracking of hydrocarbons (FCC) operation. La/spinel serves as a dual function additive for both vanadium trap and SOx removal. The optimum amount of La/spinel added to the cracking catalyst is about 15% by weight. This results in an increased catalytic activity, an increase in gasoline yield, and a decrease in coke and gas factors. The MgAl2O4 phase of Mg/Al2O3 additive is found capable of trapping vanadium while its MgO of Mg/Al2O3 phase can migrate to zeolite particles (the active component of the FCC catalyst) that, in turn, causes a decline in the activity of that catalyst. 相似文献
108.
Hou Y Jaffrezic-Renault N Martelet C Tlili C Zhang A Pernollet JC Briand L Gomila G Errachid A Samitier J Salvagnac L Torbiéro B Temple-Boyer P 《Langmuir : the ACS journal of surfaces and colloids》2005,21(9):4058-4065
To make ultrathin films for the fabrication of artificial olfactory systems, odorant biosensors, we have investigated mixed Langmuir and Langmuir-Blodgett films of odorant-binding protein/amphiphile. Under optimized experimental conditions (phosphate buffer solution, pH 7.5, OBP-1F concentration of 4 mg L(-1), target pressure 35 mN m(-1)), the mixed monolayer at the air/water interface is very stable and has been efficiently transferred onto gold supports, which were previously functionalized by self-assembled monolayers (SAMs) with 1-octadecanethiol (ODT). Atomic force microscopy and electrochemical impedance spectroscopy were used to characterize mixed Langmuir-Blodgett (LB) films before and after contact with a specific odorant molecule, isoamyl acetate. AFM phase images show a higher contrast after contact with the odorant molecule due to the new structure of the OBP-1F/ODA LB film. Non-Faradaic electrochemical spectroscopy (EIS) is used to quantify the effect of the odorant based on the electrical properties of the OBP-1F/ODA LB film, as its resistance strongly decreases from 1.18 MOmega (before contact) to 25 kOmega (after contact). 相似文献
109.
硼离子对铕掺杂SiO2干凝胶发光性能的影响 总被引:3,自引:0,他引:3
采用溶胶-凝胶法制备了Al单掺和B,Al共掺的Eu掺杂SiO2干凝胶。利用荧光光谱、IR,XRD,DSC,TG/DTG等技术研究了硼离子、退火温度对样品发光性质的影响。经500℃以上退火处理用248nm激发的样品,产生Eu^3+离子^5D0→^7FJ的特征发射,^5D0→^7F1的跃迁分裂为两个峰。比较615nm处的发光强度,掺硼酸样品的发光强度是不加硼酸发光强度的3.3倍。这是因为B离子的加入,在材料中形成了Si—O—B键,破坏了网络的对称性,加强了Eu^3+的红光发射。当退火温度上升到850℃用350nm激发时,样品有很强的Eu^2+蓝光发射。Al单掺的发射中心在437nm处,发射半峰宽约为70nm,而B,Al共掺样品的发光中心蓝移到425nm处,单掺样品的蓝光强度几乎是共掺样品强度的2倍。这是由于硼酸的加入改变了基质的网络结构,从而导致单掺和共掺样品发射峰位和强度的改变。 相似文献
110.
The reactions of 1,4-bis(phenylthio)butane (L) with Ag(I) salts in varied conditions (varying the solvents, metal-to-ligand ratios, and counteranions) lead to the formation of four new two-dimensional (2D) coordination polymers with different network structures: [Ag(2)L(3)(ClO(4))(2)](infinity) 1, [Ag(2)L(3)(ClO(4))(2) x CH(3)OH](infinity) 2, [[AgL(2)](ClO(4))](infinity) 3, and [AgLNO(3)](infinity) 4. All the structures were established by single-crystal X-ray diffraction analysis. Crystal data for 1: triclinic, P-1, a = 11.0253(9) A, b = 11.3455(9) A, c = 11.5231(9) A, alpha = 93.931(2) degrees, beta = 92.689(2) degrees, gamma = 112.9810(10) degrees, Z = 2. 2: triclinic, P-1, a = 11.9147(13) A, b = 16.1534(17) A, c = 16.2259(17) A, alpha = 74.977(2) degrees, beta = 69.030(2) degrees, gamma = 69.986(2) degrees, Z = 2. 3: triclinic, P-1, a = 12.1617(9) A, b = 12.5054(10) A, c = 13.1547(10) A, alpha = 64.3370(10) degrees, beta =85.938 (2) degrees, gamma = 69.3010(10) degrees, Z = 2. 4: monoclinic, P2(1)/c, a = 5.4032(17) A, b = 16.974(6) A, c = 19.489(6) A, beta = 94.234(6) degrees, Z = 4. In all four complexes, each Ag(I) center has a tetracoordination geometry, and the 2D networks consist of fused large macrometallacyclic ring systems. The "hexagonal" 42-membered rings, Ag(6)L(6), observed in 1 and 2 are nearly identical, which could be considered as unique examples of self-sustaining noninterpenetrated frameworks formed with flexible ligands. The repeating rectangular 28-membered macrometallacycle, Ag(4)L(4), is the basis for the network of 3, in which the perchlorate anions occupy the voids to prevent the ring from collapsing. In 4, columns of the fused rectangular 22-membered rings, Ag(4)L(2)(NO(3))(2), are cross-linked through the L ligands to form a unique 2D network consisting of two types of 22-membered repeating units. 相似文献