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171.
172.
Shen YF Fang CJ Peng ZH Li DC Zhou YH 《Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy》2005,62(1-3):132-139
The molecular structure and binding, as well as infrared and electronic spectroscopic properties for the title complex Cu(mnt)(dmbpy)(mnt(2-)=maleonitriledithiolate, dmbpy=4,4'-dimethyl-2,2'-bipyridine) were studied in this paper. With semi-empirical PM3 and non-empirical DFT (B3LYP/6-311G*) methods, the molecular geometry of the complex was optimized and corresponding vibrational spectra in the gaseous state were obtained. The calculated results derived from DFT were more reasonable than those from PM3. The point group of Cu(mnt)(dmbpy) in isolated gaseous state was C(2), in which Cu(II) adopted a distorted tetrahedral geometry and the dihedral angle between the N(2)Cu and S(2)Cu planes was about 29.814 degrees. And a complete assignment to the IR spectra of such a complicated molecule was exhibited. With ZINDO/S method an electronic spectrum was calculated. The results showed that the calculated values generally agreed with the observed ones. And a detailed explain was made on its electronic spectra. 相似文献
173.
174.
通过X射线衍射分析和超导量子干涉磁强计(SQUID)磁性测量,研究了Co替代Fe含量对居里温度在室温以上的磁制冷材料La(Fe1-xCox)11.7Al1.3(x=0.072,0.081)磁结构和磁性能的影响。La(Fe1-xCox)11.7Al1.3材料的居里温度随Co的含量增加而增加,La(Fe0.919Co0.081)11.7Al1.3的居里温度为311 K。当外场变化为1.9 T时磁熵变达到3.6 J·kg^-1·K^-1,RCP值为168.6 J·kg^-1,虽然它的磁熵变小于具有巨磁熵变的磁制冷材料,但是它在磁场为1.9 T时的制冷能力与这些材料相当。 相似文献
175.
Xiangrong Chen Xiaobin Ding Zhaohui Zheng Yuxing Peng 《Colloid and polymer science》2005,283(4):452-455
PNIPAAm-b-PPG-b-PNIPAAm triblock copolymers were prepared by redox polymerization. The self-assembly behavior and thermosensitive property of the copolymers in water were studied using 1H-NMR, TEM and a UV spectrophotometer. The results showed that the LCST of the copolymers was 32 °C, which was consistent with that of pure PNIPAAm. The copolymers could form a vesicular structure in an aqueous solution by self-assembly. The hollow structure of the PNIPAAm-b-PPG-b-PNIPAAm vesicles combined with the temperature-sensitive property may enable many potential applications of the vesicles. 相似文献
176.
The reaction of corresponding cadmium salts with the flexible ligand 1,4-bis(1,2,4-triazol-1-ylmethyl)benzene (bbtz) affords the 3D coordination network [Cd3(bbtz)6(H2O)6](BF4)(6.1.75H2O (1), containing ribbons of rings and planar 2D (4,4) networks polycatenated with each other, the undulating 2D (4,4) network [Cd(bbtz)2(H2O)2](ClO4)2.2H2O (2), and ribbons of rings [Cd(bbtz)2(H2O)2](BF4)2.3DMF (3) and [Cd(bbtz)2(H2O)2](ClO4)2.3DMF (4). 相似文献
177.
石油焦与煤混合燃料热重分析研究 总被引:6,自引:0,他引:6
石油焦与煤混合燃烧是高效处理石油焦的有效方法,作者对选用的石油焦和煤不同配比的混合燃料进行了热重分析研究。使用常压高温热天平研究、分析了各配比混合燃料的热解特性和燃烧特性。并根据化学动力学方法计算了各过程的化学动力学参数,即活化能E和频率因子A0。结果表明,各混合燃料热解起始温度大致相同,随煤焦比减小,挥发分析出速率变缓,最大释放速度所对应的温度升高,最终失重率减小,挥发分释放特性指数减小;随煤焦比增大,混合燃料着火温度和燃尽温度逐渐降低,最大燃烧速率所对应的温度降低,燃烧特性指数增大;随煤焦比减小,活化能和频率因子增大。 相似文献
178.
Yulu Yang Mingguang Wu Xingwang Zhu Hui Xu Si Ma Yongfeng Zhi Hong Xia Xiaoming Liu Jun Pan Jie-Yinn Tang Siang-Piao Chai Leonardo Palmisano Francesco Parrino Junli Liu Jianzhong Ma Ze-Lin Wang Ling Tan Yu-Fei Zhao Yu-Fei Song Pardeep Singh Pankaj Raizada Deli Jiang Di Li R. A. Geioushy Jizhen Ma Jintao Zhang Song Hu Rongjuan Feng Gang Liu Minghua Liu Zhenhua Li Mingfei Shao Neng Li Jiahe Peng Wee-Jun Ong Nikolay Kornienko Zhenyu Xing Xiujun Fan Jianmin Ma 《中国化学快报》1990,30(12):2065-2088
This roadmap demonstrates a series of two-dimensional nanomaterials, such as graphene, black phosphorus, oxides, layered double hydroxides, chalcogenides, bismuth-based layered compounds, MXenes, metal organic frameworks, covalent organic frameworks, and others, for environmental catalysis. 相似文献
179.
Using geometry optimization and DFT method at the B3LYP/6-31G* level of theory for C30H20, an equilibrium geometry is identified that has the form of polyhedral hydrocarbon with five carbon–carbon single bonds linking a dodecahedrane cage and a pentaprismane cage. Thus, this molecule is a tri-cage molecule with two pentaprismane cages and one dodecahedrane cage. Vibrational frequencies and the infrared spectrum are computed at the same level of theory. The heat of formation for C30H20 has been estimated in this paper. The heat of formation of C30H20 as well as the vibrational analysis indicates that this molecule enjoys sufficient stability to allow for its experimental preparation. 相似文献
180.
Time-of-flight mass spectrum of C_nB~- has been recorded on a selfbuilt instrument with laser vaporization of tetraphenylboron sodium. By analysis of the com-position of the anions, it is found that number of the boron atoms in any of these ions equals to the number of the charges carried by the anion, and the sum of the numbers of the carbon and boron atoms in these species are always the odd numbers. The experimental results show that boron atom has a strong tendency to attract an electron so that those C_nB~- will have similar electronic structures as C_n, and carbon clusters with odd members are always more stable than their even neighbors. 相似文献