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1.
Na_6V_(10)O_(28)·12H_2O的合成与结构 总被引:1,自引:0,他引:1
合成并测定了十钒酸盐Na_6V_(10)O_(28)·12H_2O的单晶结构。晶体属单斜晶系,P2_1/n群空间,a=12.019(2),b=17.154(2),c=18.178(6),β=106.29(2)°,V=3579(1),M_r=1287.5,F(000)=2560,μ=25,44cm ̄(-1),Z=4,D_c=2.38g·cm(-3)。结构由重原子法解出,全矩阵最小二乘法修正至R=0.064,R_w=0.083。V_(10)簇阴离子可以看成由10个VO_6变形八面体形成,其中氧原子有4种类型:端氧、二桥氧、三桥氧和六桥氧。结果表明,阳离子相同但结晶水的数目不同时,十钒酸盐的晶系和空间群不同。 相似文献
2.
A first-principle method has been successfully developed for the prediction of pKa values of aromatic heterocyclic compounds in DMSO solution with a precision of 1.1 pKa units. Comparison of theoretical results and experimental data (where available) also shows excellent consistency. Armed with this useful approach, the pKa values for a series of aromatic heterocycles were calculated in DMSO. Moreover, a discussion of the relationships between hydrogen acidities and molecular structures is conducted for the first time (determinants of C-H acidities, substituent effects, and some practical use of dehydrometalation). These statistics could be useful for synthetic chemists to design proper routes for introduction of aromatic heterocyclic moiety, especially when dehydrometalation reactions are used. 相似文献
3.
醇体系中新型晶体磷酸锆的合成和表征赵玉娥,宋天佑,徐家宁,徐如人(吉林大学化学系,长春,130023)关键词磷酸锆,合成,表征自1964年首次合成磷酸锆晶体[1]以来,人们又合成出多种磷酸锆晶体[2~4]。但在非水体系中合成磷酸锆的工作尚未见报道。本... 相似文献
4.
为了研究从简单易得的原料在无催化剂的条件下一锅法合成N-甲基十氢吖啶-1,8-二酮化合物,我们以各类醛(脂肪醛、芳香醛、二醛)、达咪酮或1,3-环己二酮和甲胺为原料,以乙二醇或水为溶剂,经微波辐射,一步反应得到了一系列N-甲基十氢吖啶-1,8-二酮化合物。反应时间从传统热反应的4-5小时缩短至2-10分钟,产率较高(56-95%),并且不需要使用催化剂。该反应后处理方便,只需要简单洗涤,环境友好,为合成此类化合物提供了一种简便、有效的合成方法。该方法不仅适用于一元脂肪醛、芳香醛,还适用于芳香二醛,因此可以合成含有一个或两个十氢吖啶结构单元的杂环化合物。 相似文献
5.
微波辐射下三组分“一锅法”合成5-芳基-1,5,6,7,8,9-六氢化-2H-吡唑[5,4-b]并喹啉-6-酮 总被引:1,自引:0,他引:1
在微波辐射下以芳醛、1,3-环己二酮或达米酮和氨基吡唑为原料, 用乙二醇作能量转移剂, 三组分“一锅法”快速合成了一系列吡唑[5,4-b]并喹啉类化合物. 该方法速度快(30~90 s), 产率高(88%~98%), 环境友好. 产物结构通过红外光谱、核磁共振谱和元素分析证实, 化合物4e的单晶经X射线衍射分析, 进一步确证了产物结构. 相似文献
6.
The paramagnetic complexes formed in Friedel‐Crafts alkylation reaction systems are invistigated by electron spin resonance (ESR) spectroscopy, in room temperature ionic liquids system 1‐butyl‐3‐methyl‐limidazolium chloride‐aluminium chloride ([bmim]Cl‐AlCl3). The results indicate that ESR spectra observed are due to polycyclic aromatic radical cations formed from their parent hydrocarbons. ESR spectrum of spin adduct is obtained in an ionic liquid system composed of [bmim]Cl‐AlCl3. In acidic solution the 14N hyperfine coupling constant of 4‐oxo‐TEMPO, 2.15 mT, is appreciably larger due to an adduct formed with AlCl3. 相似文献
7.
HUA Guo-Pinga ZHU Xiao-Tongb ZHANG Jin-Pengb XU Jia-Ningb WANG Qianb JI Shun-Junc ZHANG Yongc TU Shu-Jiangb② a 《结构化学》2006,25(5):599-603
1 INTRODUCTION Various quinolone derivatives are known to dis- play interesting biological properties ranging from microbial activity to cytotoxicity[1]. They have been reported as antiviral (HIV-1)[2] and antitumor agents[3] as well as used as tubulin[4], topoisomerase[5] and thrombocyte inhibitors[6]. As a member of the quino- lone family, substituted N-phenyl-2-quinolones re-present the structural basis of many biologically active compounds, such as protein kinase inhibitors, immunodu… 相似文献
8.
Yu-Fen Zhao De-Qing Zhang Chu-Biao Xue Jia-Ning Zeng Gai-Jiao Ji 《Journal of mass spectrometry : JMS》1991,26(5):510-513
Positive ion fast atom bombardment mass spectrometry of N-diisopropyloxyphosphoryl dipeptides and tripeptides showed a novel cleavage pattern in that only the N-phosphoryl fragment ions gave intense peaks while the C-terminal series of ions was suppressed. The base peak was the N-phosphoryl imino ion responding to the N-terminal residue. These advantages are superior to those of other types of N-protecting groups. 相似文献
9.
By means of first-principles density functional theory(DFT) calculations and molecular dynamics(MD) simulations,a series of coronal multi-walled silicon nanotubes(MWSiNTs) without or with hydrogen terminations are systematically identified.Notably,coronal MWSiNTs,where the interaction between the walls is preferable through covalent bonds rather than weak interaction,show better stability than CNT-like SiNTs. Moreover,they exhibit good elasticity with small Young’s modulus.The investigation of the electronic structure demonstrates that they present metallic characteristics,which is in striking contrast to bulk silicon.Thus,the MWSiNTs may find important applications in electronic devices. 相似文献
10.
An unusual substitution reaction of an aromatic sulfonic group based on 3-carbonyl-4-phenolsulfonic acid was discovered in a diazo-coupling process.The reaction occurred under mild reaction conditions (pH 8.0-9.0.0-5 C,solvent:water) within a short reaction time(1h).A plausible substitution reaction mechanism by phenol-ketone resonance was proposed. 相似文献