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1.
利用密度泛函理论研究了Al12N和Al12B团簇的原子结构和电子性质,通过各种异构体的比较,发现两种掺杂团簇的最低能量结构都是完好的二十面体(Ih)结构,N(B)原子占据在二十面体的中心.高对称性团簇形成稀疏离散的电子态密度和大的电子能隙.在Al-N之间发生较大的电荷转移.因此我们建议把Al12N团簇看作是碱金属超原子,Al12B团簇看作是卤素超原子,用来构造团簇组装固体.  相似文献   
2.
Equilibrium data for the adsorption of phenolic compounds, i.e., phenol, p-cresol, p-chlorophenol and p-nitrophenol from aqueous solutions by a water-compatible hypercrosslinked polymeric adsorbent (NJ-8) within temperature range of 283-323 K were obtained and correlated with a Freundlich-type of isotherm equation, so that equilibrium constants KF and n were obtained. The capacities of equilibrium adsorption for all the four phenolic compounds on the NJ-8 from aqueous solutions are around 2 times as high as those of Amberlite XAD-4, which may be attributed to the unusual micropore structure and the partial polarity on the network. The values of the enthalpy (always negative) are indicative of an exothermic process, which manifests the adsorption of all the four phenolic compounds on the two polymeric adsorbents to be a process of physical adsorption. The negative values of free energy change show that the solute is more concentrated on the adsorbent than in the bulk solution. The absolute free energy values of adsorption for NJ-8 are always higher than those for Amberlite XAD-4, which indicates that phenolic compounds are preferentially adsorbed on NJ-8. The negative values of the adsorption entropy are consistent with the restricted mobilities of adsorbed molecules of phenolic compounds as compared with the molecules in solution. The adsorption entropy values of phenolic compounds for NJ-8 are lower than those for Amberlite XAD-4, which means the micropores of NJ-8 require more orderly arranged adsorbate.  相似文献   
3.
苯甲酰基修饰的吸附树脂对对甲苯胺的吸附机理研究   总被引:2,自引:0,他引:2  
合成了用苯甲酰基修饰的新型吸附树脂ZH-03和ZH-04,同时研究了它们和AmberliteXAD-4对不同温度下水溶液中对甲苯胺的静态吸附和脱附性能,并对吸附机理进行了探讨。结果表明,经化学修饰后的树脂ZH-03和ZH-04对水溶液中对甲苯胺的吸附过程在合适温度时存在化学络合吸附作用,对吸附剂进行苯甲酰基修饰可以提高吸附剂对水溶液中对甲苯胺的吸附容量。  相似文献   
4.
5-amino-l,10-phenanthroline (5-AP), as a tautomeric heterocyclic aromatic chelating fluorophore (THACF), can sense Zn^2+ selectively by shifting emission from 495 to 564 nm upon Zn^2+ addition in ethanol. The ratiometric fluorescent sensing behavior has been correlated to the tautomerization of 5-AP affected by solvents and metal chelation. The strategy using THACF as ratiometric fluorescent sensor for Zn^2+ not only simplifies the synthetic procedure but also gives a promising alternative for Zn^2+ ratiometric fluorescent sensor design.  相似文献   
5.
A novel one-dimensional manganese(II) complex containing nitronyl nitroxide radical [Mn2(IM2-py)2(Ac)21,1-N3)(μ1,3-N3) · EtOH] n was synthesized and characterized structurally and magnetically. It crystallizes in the monoclinic space group p21/n. Each Mn(II) ion is six-coordinated in a distorted octahedral environment. The two N atoms of the nitronyl nitroxide radical and the two O atoms of acetate ligands are in the equatorial plane, whereas the two different azido bridging ligands are in trans axial position. Mn(II) ions are linked by nitrogen atom of μ1,1-azido and oxygen atoms of two carboxy groups to form a Mn-Mn unit. Mn-Mn units are linked by azido ligands through μ1,3 bridging style to form a one-dimensional chain. The compound is connected by the coordination bonds, π-π interactions and hydrogen bonds as a three-dimensional structure. Magnetic susceptibility data support that there are stronger antiferromagnetic interactions between the radical and Mn(II) ion, weak antiferromagnetic interactions between the Mn-R units, and very weak antiferromagnetic interactions between the R-Mn-Mn-R units.  相似文献   
6.
Nearly monodispersed CdSe quantum dots have been prepared by a soft solution approach using air-stable reagents at lower temperature. The temporal evolution of the absorption and room temperature photoluminescence spectra were used to follow the reaction process and to characterize the optical properties of as-prepared CdSe quantum dots. The results exhibited clear exciton peaks in absorption and bright band-edge luminescence. The structures of the CdSe nanocrystals were determined by X-ray powder diffraction (XRD), transmission electron microscopy (TEM) and high-resolution transmission electron microscopy (HRTEM). The influence of the temperature on the properties of the resultant CdSe nanocrystals was investigated. The distribution of properties within ensembles of CdSe nanocrystals was also studied. A drastic difference in the photoluminescence efficiencies of size-selected fractions was observed.  相似文献   
7.
A novel one-dimensional manganese(Ⅱ) complex containing nitronyl nitroxide radical [Mn2(IM2-py)2(Ac)2((μ1.1-N3)(μ1,3-N3) . EtOH]n was synthesized and characterized structurally and magnetically. It crystallizes in the monoclinic space group p21/n. Each Mn(Ⅱ) ion is six-coordinated in a distorted octahedral environment. The two N atoms of the nitronyl nitroxide radical and the two O atoms of acetate ligands are in the equatorial plane, whereas the two different azido bridging ligands are in trans axial position. Mn(Ⅱ) ions are linked by nitrogen atom of μ1,1-azido and oxygen atoms of two carboxy groups to form a Mn-Mn unit. Mn-Mn units are linked by azido ligands through u1,3 bridging style to form a one-dimensional chain. The compound is connected by the coordination bonds,π-π interactions and hydrogen bonds as a three-dimensional structure. Magnetic susceptibility data support that there are stronger antiferromagnetic interactions between the radical and Mn(Ⅱ) ion, weak antiferromagnetic inter  相似文献   
8.
Wang  Yan  Chen  Cheng  Liu  Huisheng  Sun  Dan-Ling  Cheng  Wei-Wei  Xue  Yun-Shan 《Transition Metal Chemistry》2021,46(5):381-390
Transition Metal Chemistry - Four coordination polymers, namely {[Cd2(1,4-NDC)2(dbp)2]·DMF}n (1), {[Cd(1,4-NDC)(dbp)(H2O)]}n (2), {[Zn(2,6-NDC)(dbp)(H2O)]}n (3), and...  相似文献   
9.
We study the relationship between the product and other basic operations (namely σ, π, α and β) of generalized topologies. Also we discuss the connectedness, generalized connectedness and compactness of products of generalized topologies. It is proved that the connectedness and compactness are preserved under the product of generalized topologies, which shows that the definition of product of generalized topologies is quite reasonable.  相似文献   
10.
This paper concerns the conditional global regularity of incompressible MHD equations with horizontal dissipation and horizontal magnetic diffusion in two dimension. When only horizontal dissipation and horizontal magnetic diffusion are present, there is no control on the vertical derivatives of velocity field and magnetic field, which is the main difficulty to establish the global regularity. In this paper, we establish a global regularity criterion in terms of one entry of the velocity gradient tensor or one entry of the magnetic field gradient tensor, which extends the recent work (Fan and Ozawa, 2014).  相似文献   
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