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排序方式: 共有203条查询结果,搜索用时 31 毫秒
91.
92.
Mingyuan Ding Yingchao Liu Jianhua Chen Yuqiong Li 《International journal of quantum chemistry》2024,124(4):e27355
The structures and properties of seven substituted dithiophosphate (DTP) collectors containing three types of functional groups (O2PS2, C2PS2, and N2PS2) were studied using density functional theory. The collectors studied were dibutyl dithiophosphate (DNBDTP), diisobutyl dithiophosphate (DIBDTP), dibutoxyethyl dithiophosphate (DBOEDTP), xylenol dithiophosphate (DMPDTP), diisobutyl dithiohypophosphite (3418A), diphenylamine dithiophosphate (DTADTP), and dicyclohexylamine dithiophosphate (DCADTP). The structural analysis showed that the P S bond lengths in the C2PS2 and N2PS2 types are longer than those in the O2PS2 type, indicating that the strength of the P S bond is weaker in the former two. The frontier molecular orbital studies showed that the energy differences between the highest occupied molecular orbitals (HOMO) of 3418A (C2PS2 type) and DCADTP (N2PS2 type) and the lowest unoccupied molecular orbital (LUMO) of galena are significantly lower than those of the other collectors, suggesting that C2PS2 type and N2PS2 type with cyclohexane could enhance the interaction with galena. Using the Fukui function to calculate the nucleophilicity and electrophilicity of the sulfur atom indicated that the S atom exhibits nucleophilicity, especially in DMPDTP and DTADTP, which contain benzene rings, and the S atom exhibits strong nucleophilicity without electrophilicity. However, due to the lack of contribution from S atoms to the LUMO orbitals, the S atoms in these two compounds are not participate in any LUMO reactions. The adsorption results demonstrated that 3418A (C2PS2 type) and DCADTP (N2PS2 type) exhibit the strongest adsorption on Pb2+ ions, while DMPDTP (C2PS2 type) and DTADTP (O2PS2 type) which contain benzene rings, as well as DBOEDTP (C2PS2 type) which does not contain a benzene ring, exhibit weaker interaction compared to the other compounds. These are consistent with the results of the frontier molecular orbital and electrophilic nucleophilicity calculations. 相似文献
93.
94.
Well-defined star polymers containing a functionalized core supply a molecular nanocavity and may be used to control formation of inorganic nanoparticles. Herein, platinum (Pt) nanoparticles of 2-4 nm were prepared by using (poly(acrylic acid)-b-polystyrene)6 (PAA-b-PS)6 amphiphilic star block copolymer as a novel single molecular stabilizer. This PAA core functionalized star polymer was obtained by hydrolysis of (poly(tert-butyl acrylate)-b-polystyrene)6 (PtBA-b-PS)6, which was synthesized by sequential atom transfer radical polymerization (ATRP) of tert-butyl acrylate and styrene with an initiator bearing six 2-bromoisobutyloxyl groups. Pt(IV) ions were loaded by ion exchange to the core of the star polymer and Pt nanoparticle stabilized by single star polymer was produced by a reduction with NaBH4. 相似文献
95.
Gao P Liu Y Zhang L Xu PF Wang S Lu Y He M Zhai H 《The Journal of organic chemistry》2006,71(25):9495-9498
The first total synthesis of (+/-)-subincanadine F, a bioactive indole alkaloid structurally featuring a 1-azabicyclo[4.3.1]decane unit, has been realized from 1-(para-methoxybenzyl)tryptamine in six steps. The bridge-containing tetracyclic framework of subincanadine F was efficiently assembled by a SmI2-mediated ring opening followed by an acid-mediated Mannich reaction. In addition, the tetracyclic ketoester 6, a key intermediate potentially useful for synthesizing structurally related indole alkaloids as well, was obtained in one step from alpha,beta-diketoester 5. 相似文献
96.
Mu Niu Meihong Du Zhenyu Gao Chunhui Yang Xianyong Lu Ruirui Qiao Mingyuan Gao 《Macromolecular rapid communications》2010,31(20):1805-1810
Monodispersed polystyrene beads incorporated with Fe3O4 nanoparticles are prepared via dispersion polymerization. The resultant magnetic beads present well‐defined composite structures, excellent colloidal stability, and strong magnetic response. The formation mechanism for the monodispersed composite beads, incorporated with preformed Fe3O4 nanocrystals, was investigated. The potential applications of the monodispersed magnetic beads in bacteria capturing were demonstrated. After being coated with anti‐Salmonella CSA‐1 antibody, the magnetic beads show capturing efficiencies of >99.4% in isolating Salmonella sp.
97.
利用原位红外漫反射技术(DRIFTS)对抗硫中毒催化剂Pt/Ce0.8Gd0.2O1.9(Pt/CGO)上CO吸附、CO/噻吩共吸附以及CO/H2S顺序吸附进行了研究,并与Pt/Al2O3催化剂进行了比较.CO吸附实验表明,1.6%Pt/CGO-800(800℃焙烧)上CO的红外特征吸收峰在2104cm-1,与1.6%Pt/Al2O3-500上CO的红外特征吸收峰(2070cm-1)相比,向高波数方向移动了34cm-1.1.6%Pt/CGO-600上出现两个CO特征吸收峰,主峰位于2108cm-1,肩峰位于2085cm-1.CO/噻吩共吸附实验表明,噻吩导致1.6%Pt/CGO-800上CO吸附的红外特征吸收峰红移至2090cm-1,峰强度略有降低;1.6%Pt/CGO-600上CO的红外特征吸收峰红移至2096cm-1且强度有所降低,同时肩峰消失.而1.6%Pt/Al2O3-500上CO的红外特征吸收峰明显减弱并红移至2040cm-1.CO/H2S顺序吸附实验表明,H2S导致Pt/CGO催化剂在2104和2108cm-1处的CO特征吸收峰轻微红移,峰强度略有降低,而H2S导致Pt/Al2O3完全丧失CO的吸附能力.原位DRIFTS表征结果表明,Pt/CGO催化剂上生成的强缺电子特性Pt颗粒具有很强的抗硫中毒能力,800℃焙烧有利于生成单一的抗硫中毒的强缺电子Pt金属位,使得1.6%Pt/CGO-800具有最佳的抗硫中毒性能. 相似文献
98.
99.
Ziwei Gao Caiyun Zhang Mingyuan Dong Lingxiang Gao Guofang Zhang Zhaotie Liu Gaofeng Wang Denghui Wu 《应用有机金属化学》2006,20(2):117-124
Two 4‐coordinated titanocene complexes, [(η5‐C5H5)2Ti(O,O′)(5‐NO2‐OCC6H3)] (I) and [(η5‐C5H5)2Ti(2‐OH‐5‐NO2‐O2CC6H3)2] (II), have been synthesized by reaction of Cp2TiCl2 and 5‐nitrosalicylic acid in aqueous media. Single‐crystal X‐ray analyses of I and II display the mononuclear forms of TiIV, and geometries at titanium atoms are distorted tetrahedrons, while the coordination environment at TiIV in complex I is different from that in complex II. Crystallographic characterization revealed that each of the complexes exhibits a three‐dimensional framework constructed through weak interactions, which are H‐bonding, π–π stacking and C–H·π interactions, but they differ greatly when forming the three‐dimensional network structure in both complexes. The results show that the dramatic change of conditions has great effect on the molecular structure of 5‐nitrosalicylate titanocene, thereby significantly influencing the weak interactions and the specific framework structure. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献
100.
Xiangyu Xu Yuxin Liu Zhenhu Li Zhi Lv Jiaqing Song Mingyuan He Qian Wang Lijun Yan Zhaofei Li 《Journal of Thermal Analysis and Calorimetry》2014,115(2):1111-1117
Boehmite nanofiber materials with controlled particle size were synthesized without any surfactant by careful tuning of the hydrothermal temperatures, and followed by a series of characterizations. It was found that the boehmite nanofibers became shorter and coarser with the increase of temperature, and resulted in a gradual decrease of their specific surface areas. Moreover, the thermal stability of the boehmite nanofibers was studied by in situ HT X-ray diffraction and thermogravimetry–differential scanning calorimetry. All materials showed the phase transition from γ-Al2O3 to other forms. Yet the transition temperature was increased with the increase of hydrothermal temperature. The boehmite nanofibers with the largest diameter showed the best thermal stability. 相似文献