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911.
912.
《Journal of Coordination Chemistry》2012,65(9):1528-1543
Density functional theory calculations, with an effective core potential for the copper ion, and large polarized basis set functions have been used to construct the potential energy surface of the Cu+·(CO)n (n = 1–3) complexes. A linear configuration is obtained for the global minimum of the Cu+·CO and Cu+·(CO)2 complexes with a bond dissociation energy (BDE) of 35.9 and 40.0 kcal mol-1, respectively. For the Cu+·(CO)3 complex, a trigonal planar geometry is obtained for the global minimum with a BDE of 16.5 kcal mol?1. C-coordinated copper ion complexes exhibit stronger binding energy than O-coordinated complexes as a result of Clp → 4s σ-donation. The computed sequential BDEs of Cu+·(CO)n (n = 1–4) complexes agree well with experimental findings, in which the electrostatic energy and σ-donation play an important role in the observed trend. 相似文献
913.
L. Ya. Gavrilova T. V. Aksenova L. A. Bannykh Ya. V. Teslenko V. A. Cherepanov 《Journal of Structural Chemistry》2003,44(2):248-251
Phase equilibria in the La–Sr–Co–Ni–O system were studied in air at 1100°. The samples for the study were synthesized by the standard ceramic and citrate processes. The limiting solubility and structure of La1-xSrxCo1-yNiyO3- and (La1-xSrx)2Co1-yNiyO4 solid solutions were determined by Xray powder diffraction analysis. La1-xSrxCo1-yNiyO3- solid solutions with 0 x 0.5 have a distorted rhombohedral perovskitelike structure (R
c space group). An increase in the strontium concentration reduces the rhombohedral distortions, and the compounds with x < 0.5 have an ideal cubic structure (Pm3m space group). (La1-xSrx)2Co1-yNiyO4 crystals have a tetragonal K2NiF4 type unit cell (I4/mmm space group). The relationships between unit cell parameters and compositions were obtained for singlephase La1-xSrxCo1-yNiyO3- and (La1-xSrx)2Co1-yNiyO4 samples. The existence regions of La1-xSrxCo1-yNiyO3- and La1-xSrx)2Co1-yNiyO4 solid solutions were distinguished on P–T phase diagrams. 相似文献
914.
H. Moon S. W. Kim J. Lee S. K. Rhee E. S. Choi H. A. Kang I. H. Kim S. I. Hong 《Applied biochemistry and biotechnology》2003,111(2):65-79
As a novel feeding strategy for aptomizing human epidermal growth factor (hEGF) production with a recombinant Hansenula polymorpha DL-1 using the methanol oxidase (MOX) promoter in H. polymorpha DL-1, independent exponential feeding of two substrates was used. A simple kinetic model considering the cell growth on two
substrates was established and used to calculate the respective feeding rates of glycerol and methanol. In the fedbatch culture
with methanol-only feeding, the optimal set point of specific growth rate on methanol was found to be 0.10 h−1. When the fed-batch cultures were conducted by the independent feeding of glycerol and methanol, the actual specific growth
rate on glycerol and methanol was slightly lower than the set point of specific growth rate. By the uncoupled feeding of glycerol
and methanol the volumetric productivity of hEGF increased from 6.4 to 8.0 mg/(L·h), compared with methanol-only feeding. 相似文献
915.
Jakubus P. Adamski A. Kurzawa M. Sojka Z. 《Journal of Thermal Analysis and Calorimetry》2003,72(1):299-310
The structure and surface properties of ZrO2 strongly depend on its preparation. In the present work the impact of prolonged aging at basic conditions (pH = 9, T = 100°C, t = 48 h), on the phase composition and textural properties, obtained by calcination of the precipitate, was investigated using
several techniques conjointly (DTA/TG, DSC, XRD, porosimetry). The thermal effects accompanying the ZrO2·xH2O gel formation, the coalescence of the particles and crystallization were evaluated and discussed in terms of the structural
differences between the aged and non-aged samples.
This revised version was published online in July 2006 with corrections to the Cover Date. 相似文献
916.
A Promising MoO_x-based Catalyst for n-Heptane Isomerization 总被引:1,自引:0,他引:1
Song Hai CHAI Xin Ping WANG* Ying Jun WANG Tian Xi CAI State Key Laboratory of Fine Chemicals Dalian University of Technology Dalian 《中国化学快报》2003,14(7)
The increasing demand for higher-octane gasoline and the regulations limiting the amount of aromatics in the fuel motivate the interest in catalytic isomerization of n-alkanes. In the last ten years, transition metal oxides or oxycarbides based on molybdenum or tungstate have attracted much attention due to their high activity and isomerization selectivity compared to the conventional bifunctional supported platinum catalyst and high resistance to sulphur and nitrogen catalyst poisons1-5. Ma… 相似文献
917.
对500℃和800℃焙烧制得的氧化态K-MoO3/γ-AlO3,K-MoO3/SiO2及非负载K-Mo催化剂进行硫化后,测试其合成醇活性.结果表明500℃焙烧制得的负载型催化剂显示较高的合成低碳烃活性和较低的合成低磷醇选择性,经800℃焙烧后,合成低磷醇的选择性大幅度提高.500℃焙烧的非负载K-Mo催化剂显示较高的合成醇选择性,经800℃焙烧后,促碳醇的选择性保持不变.用氨的吸附及TPD方法测定了各样品的酸性,并与催化剂活性对照,发现催化剂酸性越强,酸量越大,则其合成醇选择性越低.催化剂上的乙醇分解实验证实,催化剂的酸量大小与它的醇分解活性成正变关系,这些结果说明催化剂酸性对其合成醇性能有直接的影响. 相似文献
918.
Pt/钇稳定氧化锆固体电解质在高温下的电化学性质 总被引:1,自引:0,他引:1
用交流阻抗技术研究了二电极、三电极Pt/钇稳定氧化锆(简称YSZ)高温固体电化学体系.开路电位下,Pt/YSZ体系只有一个阻抗半圆,对应于电极体系的电化学活化控制过程,极化电阻随温度变化的表观活化能为171.5kJ/mol.Pt/YSZ界面的双电层电容约为300μF/cm2.阳极极化下,交流阻抗极化电阻显著减小;阴极极化下,极化电阻反而增大,并出现浓差控制现象. 相似文献
919.
Ferricoxide(αFe2O3),chromicoxide(αCr2O3)andtheirmixedcompoundshaveimportantapplicationinmanyfields.Forinstance,theycanbeusedascatalystsforhightemperaturewatergasshiftreaction[1]andreductionofNOxbyNH3[2],asrefractorymaterials[3]andsensingmaterials[4,5],andsoon.Sinc… 相似文献
920.
合成了(La0.8M0.2)MnO3(M=Ca2+,Sr2+,Ba2+)和(La0.8Sr0.2)(Mn1-xFex)O3(x=0.1、0.2、0.3、0.4、0.5)两类氧化物,经XRD确认为钙铁矿型氧化物,应用FT-IR对其进行研究,对主要的红外特征振动υ(Mn-O)和δ(O-Mn-O)进行分析表征。这类化合物的υ(Mn-O)和δ(O-Mn-O)的FT-IR特征吸收峰十分相似,但在~608cm-1处出现较大差别,以Sr2+、Ca2+和Ba2+部分A位取代La3+的钙铁矿型氧化物和B位Fe取代Mn时,由于离子的溶解能不同,对晶格的有序排列的影响程度不一,导致了Mn-O键的键力场不同,引起了吸收峰向低波数移动。这种结构上的差异,导致对汽车尾气中的有害成份碳氢化合物(HC)和一氧化碳(CO)的催化氧化能力降低。借此可以用于研究结构与催化性能的关系。 相似文献