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排序方式: 共有137条查询结果,搜索用时 15 毫秒
1.
Wei-Zhen Sun Lin-Lin Dai Xiang-He Kong Yu Mao Zhi-Lin Wu Li-Fu Liao Xi-Lin Xiao Chang-Ming Nie 《应用有机金属化学》2020,34(4):e5486
The design of new uranyl-ligands (uranyl-Ls) is of great significance for the separation and utilization of uranium. In this paper, the triazole group was introduced into uranyl-salophen (uranyl-S) to form new asymmetric uranyl-unilateral benzotriazole salophen (uranyl-UBS); we further replaced two oxygen atoms of uranyl-UBS with two sulfur atoms to generate uranyl-unilateral benzotriazole thio-salophen (uranyl-UBTS) as a new receptor. Then, we comprehensively explored coordination models of uranyl-UBS and uranyl-UBTS with R/S-triadimefons (R/S-TDFs) enantiomers as the guests using density functional theory calculations at the B3LYP//RECP/6-311G** level; we then investigated enantioselectivity recognition of the new receptors to the guests R/S-TDFs. The results indicated that the uranium atoms of the receptors uranyl-S, uranyl-UBS and uranyl-UBTS could coordinate with the carbonyl oxygens in guests R/S-TDFs to form complexes of guest-receptors R/S-TDFs-uranyl-Ls that exhibited two stable V-shaped structures with quite different properties. It was found that the coordination ability to the guests R/S-TDFs is uranyl-UBTS > uranyl-UBS > uranyl-S, while the enantioselectivity for the guests is uranyl-UBTS > uranyl-S > uranyl-UBS and, when the receptor is the same, R-TDF has stronger coordination ability than S-TDF. These results provide information and theoretical supports for the experiments of asymmetric uranyl-UBS with R/S-TDFs, and produce a reference for further exploring the coordination characteristics of asymmetric uranyl-salophen with the triazole derivatives. 相似文献
2.
Umut Bulut Abidin Balan Cagin Caliskan 《Journal of polymer science. Part A, Polymer chemistry》2011,49(3):729-733
Two benzotriazole derivative dyes 4,7‐bis(2,3‐dihydrothieno[3,4‐b][1,4]dioxin‐5‐yl)‐2‐dodecyl‐2H‐benzo[1,2,3]triazole, and 2‐dodecyl‐4,7‐bis(4‐hexylthiophen‐2‐yl)‐2H‐benzo[d][1,2,3]triazole are shown to work as efficient photosensitizers for a diphenyliodonium salt initiator in cationic photopolymerization of epoxide and vinyl monomers. Substituted thienyl groups are attached to benzotriazole backbone to extend conjugation and enhance electron density of the molecules. Thereby, it was possible to initiate polymerizations at room temperature using long wavelength UV and visible light. The progress of photopolymerizations was monitored using optical pyrometry. The photopolymerization of an epoxide monomer using solar irradiation was also demonstrated. © 2010 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem, 2011 相似文献
3.
Benzotriazole (BTAH) is well known as an effective corrosion inhibitor for Cu because of its ability to make a coordination polymer film on the surface that provides a barrier to Cu oxidation. BTA− film formation was investigated on single‐crystal and polycrystalline Cu surfaces with shell‐isolated nanoparticle enhanced Raman spectroscopy (SHINERS) using silica‐encapsulated Au nanoparticles. Potential‐dependent spectra display reversible film formation on polycrystalline Cu and irreversible film formation on single‐crystal Cu. Grain boundaries leading to smaller BTA−‐Cu oligomers are proposed to be the reason for cathodic degradation of the BTA− polymeric films on polycrystalline Cu. Copyright © 2011 John Wiley & Sons, Ltd. 相似文献
4.
Lubov' V. Snegur Yury S. Nekrasov Nataliya S. Sergeeva Zhanna V. Zhilina Vera V Gumenyuk Zoya A. Starikova Alexander A. Simenel Nataliya B. Morozova Irina K. Sviridova Valery N. Babin 《应用有机金属化学》2008,22(2):139-147
The toxicity of ferrocenylethyl benzotriazole ( 1 ) and other ferrocene compounds including ferrocenylmethyl benzimidazoles ( 4,5,6,11 ), ferricenium salts ( 3,9,10 ) and ferrocenylmethyl adenine ( 7 ), was studied. All ferrocene complexes under investigation showed low or medium toxicities. On the basis of an earlier model of chemical carcinogenesis, the antitumor activity of ferrocenylalkyl azoles 1, 8 and ferricenium salts 9, 10 was studied in vivo in the so‐called sub‐capsular test on human tumors. This effectiveness was compared with that of cisplatin. A series of ferrocenylalkyl azoles were synthesized by interacting azoles either with α‐hydroxyalkyl ferrocenes FcC(OH)R1R2 in organic solvent in the presence of aqueous HBF4 in quantitative yields or with trimethyl(aminomethyl)ferrocene iodide in an aqueous‐basic medium in good yields. The X‐ray determinations of molecular and crystal structures of α‐(1‐benzotriazolyl)ethylferrocene ( 1 ) and α‐(1‐naphthatriazolyl)ethylferrocene ( 12 ) were performed. Copyright © 2008 John Wiley & Sons, Ltd. 相似文献
5.
6.
以对羟基苯丙酸甲酯和对氯邻硝基苯胺为原料经过烷基化、重氮化、偶合、还原环化和酯化反应合成了2-[2-羟基-3-叔丁基-5-(3-甲氧羰乙基)苯基]-5-氯-2H-苯并三唑紫外线吸收剂,反应总收率为36.83%。用质谱(MS)和核磁共振(1H—NMR)谱图表征了产物的结构,测定了产物的透光率和紫外吸收,表明产物是-类性能优良的新型苯并三唑紫外线吸收剂。 相似文献
7.
A new ligand containing selenium, Se (CH2‐N‐Btrzole)2 (Lse) (Btrzole = benzotriazole) and its cobalt(II) complex, Co(Lse)2(SCN)2, have been synthesized and the molecular structures of the title compounds have been determined by X‐ray techniques. The Lse is a meso‐configuration with a symmetric plane through the Se center, the intermolecular weak interactions of Se? Se, Se? N and π? π stacking between benzotriazole rings to extend the molecular structure to two‐dimensional network configuration. In the Co(II) complex, the metal center is in a six‐coordinated octahedral environment. Two Co(II) atoms are linked by two ligands to form a 20‐membered macrocycle; the adjacent macrocycles are linked by coordinated bond of Co? Nbentrozole to extend an infinite double strained chain. The SOD activity of the ligand and Co(II) complex have been studied by using the pyrogallol autoxidation method; thermal properties and luminescent properties of Co(II) complex have been tested, and the details of those properties have been discussed. Copyright © 2007 John Wiley & Sons, Ltd. 相似文献
8.
Qing‐Xiang Liu Feng‐Bo Xu Qing‐Shan Li Xian‐Shun Zeng Xue‐Bing Leng Zheng‐Zhi Zhang 《中国化学》2002,20(9):878-883
Dinuclear silver (I) six‐membered ring complex [Ag2 (bta)2 ‐(hmbta)2] (ClO4)2 (3) has been synthesized by the reaction of benzotriazole (bta) (1) and 1‐hydroxymethyl benzotriazole (hmbta) (2) with Ag (CH3CN)4ClO4. The structures of compound 2 and Complex 3 have been studied by single crystal X‐ray diffraction analysis. The change of luminescent intensity of 1, 2 and 3 was reported. Compound 2 crystallizes in the monoclinic system with space group P2 (1)/c, a = 0.7655 (10) nm, b = 1.0126 (14) nm, c =0.9502 (13) nm, β = 95.07 (2)°, V = 0.7337 (17) nm3 and Z = 4. Complex 3 crystallizes in the triclinic system with space group P1, a = 0.73611 (18) nm, b = 0.9152 (2) nm, c = 1.2277 (3) nm, β = 87.170 (5)°, V = 0.8221 (3) nm3 and Z = 1. The main structural feature of complex 3 is a symmetric dinuclear six‐membered ring formed by two silver (I) atoms and four N‐atoms from two benzotriazoles. The second structural feature of complex 3 is the τ‐τ stacking interaction between two adjacent molecular planes, which forms the two‐dimentional layer structure. Besides, compared with 2, the luminescent intensity of complex 3 shows a remarkable enhancement. 相似文献
9.
苯并三氮唑及其羧酸酯衍生物对铜缓蚀机理的分子动力学模拟研究 总被引:1,自引:0,他引:1
用分子动力学(MD)方法, 模拟计算了5种铜缓蚀剂[苯并三氮唑(BTA)、苯并三氮唑-5-羧酸甲酯(MBTC)、苯并三氮唑-5-羧酸丁酯(BBTC)、苯并三氮唑-5-羧酸己酯(HBTC)、苯并三氮唑-5-羧酸辛酯(OBTC)]与Cu2O晶体的相互作用. 结果发现, 中性条件下缓蚀剂分子与Cu2O晶体的结合能均大于酸性条件下的数值, 但两种条件下结合能的大小排序均为OBTC>HBTC>BBTC>MBTC>BTA. 对体系各种相互作用以及对关联函数g(r)的分析表明, 体系结合能主要由库仑作用提供, Cu2O晶体中的Cu原子与缓蚀剂分子中的N原子之间形成了配位键. 在与Cu2O(001)晶面结合过程中, BTA及其衍生物分子发生了扭曲变形, 但形变能远小于体系的非键相互作用能. 相似文献
10.
Tommaso Carofiglio Euro Solari Carlo Floriani Angiola Chiesi-Villa Corrado Rizzoli 《Polyhedron》1996,15(24):4435-4440
The UV-stabilizer 2-(2′-hydroxy-5′-methylphenyl)benzotriazole (Tinuvin P, LH) has been used as a monoanionic bidentate ligand for complexing oxocations. Displacement of acacH from [VO(acac)2] and [MoO2(acac)2] gave [*VO(acac)2*(μ-L)] (2) and [cis-O2Mo(acac)L] (3) respectively, as crystalline compounds. Their structure has been determined by an X-ray analysis showing the structural changes occurring upon coordination. The UV spectrum of Tinuvin P is significantly affected by complexation. 相似文献