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991.
992.
A series of 4,6-disubstituted pyrimidines were synthesized via Suzuki and Kumada coupling reaction of 4,6-dichloropyrimidine. 相似文献
993.
Direct CI mass spectrometry profiling of fatty acid methyl esters (FAMEs) from in situ thermal hydrolysis/methylation (THM) of whole bacterial cells with tetramethylammonium hydroxide (TMAH) has been demonstrated as a potential method for real time and fieldable detection/identification of microorganisms. Bacillus anthracis (Ames), Yersinia pestis (Nair. Kenya), Vibrio cholerae (E1 Tor), Brucella melitensis (Abortus wild) and Francisella tularensis (LVS vaccine) were profiled by this method during a 10-month period. Repeatability of the in situ FAME data was calculated using one-way analysis of variance (ANOVA) and a t-test. Artificial neural network (ANN) and multivariate statistics of the FAME profiles were also compared for bacterial identification/classification. Equivalent results were obtained with a multivariate rule building expert system (MuRES) and the ANN. However, the ANN analysis required much less computer time and was deemed the best choice for this application. In situ THM FAME profiles of the bacterial samples provided comparable results with those obtained from the Microbial Identification System (MIDI) (Newark, DE) wet chemistry-gas chromatographic based system. 相似文献
994.
The hydrothermal reactions of AgNO(3), 4,4'-bipy, and carboxylate ligands gave rise to three supramolecular architectures, namely [Ag(bipy)].H(2)SIPA.1/2bipy.H(2)O (1), [Ag(bipy)].1/2H(2)btec.H(2)O (2), and [Ag(bipy)](2).H(2)dpstc.2H(2)O (3) (H(3)SIPA = 5-sulfoisophthalic acid, bipy = 4,4'-bipyridine, H(4)btec = 1,2,4,5-benzenetetracarboxylic acid, H(4)dpstc = 3,3',4,4'-tetracarboxydiphenyl sulfone). All complexes are extended from Ag-bipy linear chains by the combination of coordination bonds and supramolecular interactions in two different approaches. Complexes 1 and 3 comprise two-dimensional frameworks. In the two complexes, a one-dimensional ladderlike structure is first formed by the connection of a Ag-bipy chain through hydrogen bonding between a free carboxylate/bipy ligand and weak coordinative interactions between a free carboxylate ligand and silver ion. The ladderlike structure is then extended to a two-dimensional layer architecture by pi...pi interactions between bipy ligands of the Ag-bipy chains. Complex 2 possesses a three-dimensional framework. The free H(2)btec(2)(-) ligands form a two-dimensional layer network by hydrogen-bonding interactions between protonated and deprotonated carboxylate groups; meanwhile, pi.pi interactions between bipy ligands of Ag-bipy chains also result in a two-dimensional layer. The two layers are further connected by weak Ag-O interactions to generate a three-dimensional supramolecular structure. 相似文献
995.
Chung‐Cheng Chang Kuo‐Ching Yang Jeng‐Gong Guo Leigh‐May Huang Li‐Chyung Wang Gene‐Hsiang Lee Shie‐Ming Peng 《中国化学会会志》2003,50(5):965-971
The insertion reaction of CS2 with Mg(NR2)2 (R= Et, iPr), MgR′2 (R′= Et, Ph) and R″MgBr (R″= iPr, Ph) respectively lead solid products, Mg(S2CNR2)2(THF)n ( 1 : R= Et, n=2; 2 : R= iPr, n=1), Mg(S2C′R)2(THF)2 ( 3 : ′R= Et, 4 : ′R= Ph), BrMg(S2C″R) (THF)3 ( 5 : ″R= iPr, 6 : ″R= Ph) in which the inserted carbon disulfides act as terminal chelating ligands. These compounds were characterized with 1H, 13C NMR, IR spectroscopy, mass spectrometry, elemental analyses, and X‐ray crystallography. 相似文献
996.
In the current article, the structures and properties of intermediates during the hydride transfer for the prior coordination of the carbonyl oxygen of keto oxime ether at B(2) of oxazaborolidine are discussed. All the structures are optimized completely by means of the Hartree–Fock (HF) and the density functional methods at the HF/6‐31G(d) and Becke's three‐parameter exchange functional and the gradient‐corrected functional of Lee, Yang, and Paar (B3LYP)/6‐31G(d) levels. The hydride transfer from BH3 to the carbonyl carbon in oxazaborolidine‐borane‐keto oxime ether adduct results in the formation of the adduct 4a* with a seven‐membered ring. This adduct has four stable structures. Another hydride of BH2 transfers to the oxime carbon in 4a* , leading to the adduct 5a* , which has also four stable structures. Among all the structures of 5a* , the most stable structure can generate (1S, 2R)‐cis amino alcohol, which is in agreement with that obtained in the experiment. This enantioselective reduction may go through the process in which oxazaborolidine‐borane‐keto oxime ether adduct is directly transformed into the adduct 4a* with a seven‐membered ring. © 2003 Wiley Periodicals, Inc. Int J Quantum Chem 93: 307–316, 2003 相似文献
997.
对于NO分子轨道的能级次序现有两种不同的说法,不少人根据NO与O_2~+是等电子体,由O_2~+分子的能级次序确定NO分子组态。本文用NO和O_2~(+)从头计算结果以及NO的紫外光电子能谱相结合的方法说明NO的5σ轨道是弱成键轨道,5σ的轨道能稍高于1π轨道能,也就是说NO的能级次序是与N_2分子相同的;NO与O_2~+虽是等电子体,但是能级次序并不相同,因此由O_2~+的能级次序确定NO分子的电子组态是不妥的。 相似文献
998.
二吡啶四硝基酞菁钴的合成及光谱—电化学性质研究 总被引:1,自引:0,他引:1
本文报道了以钼酸铵为催化剂,将4—硝基邻苯二甲酸酐、脲和氯化铵混合,于220℃加热合成四硝基酞菁钴,将此配合物溶于吡啶,于115℃加热反应6天合成了二吡啶四硝基酞菁钻配合物。并对二吡啶四硝基酞菁钴的氧化还原半波电势、电解氧化还原产物的电子吸收光谱进行了研究。 相似文献
999.
激光染料的荧光寿命(或荧光衰变时间)是一项重要的参数,它与自发辐射的跃迁几率有关,从而与染料激光的输出效率有关。香豆素和若丹明两系列染料的激光调谐范围互相衔接,覆盖从近紫外至红区的波长范围,是最广泛使用的两系列激光染料。它们的荧光寿命数据不全,而且不同年代和不同作者所得数值有差异很大者(例如若丹明590的寿命有高至9ns的,虽然.现在公认为4ns左右)。这是因为激光染料的寿命大都很短,一般为数毫微秒,要求十分精确的时间分辨探测技术,而且要避免影响分子寿命测量值的各种因素。我们使用现代测量辐射寿命最精确的时间相关单光子计数技术,测量了一些激光染料的荧光寿命,并探讨了寿命与分子结构的关系。 相似文献
1000.
多核过渡金属配合物作为一类广泛应用的均相催化剂,其设计灵感往往来自天然酶的多金属活性位点所发挥的重要作用.目前,三核金属配合物作为活化小分子的多金属催化剂受到了广泛的关注.为深入理解三核过渡金属配合物在催化反应中作用特点,对近年报道的代表性三核过渡金属配合物按金属中心进行分类,并对配体环境形成特点及催化应用进行综述.从金属中心出发,讨论了三核过渡金属配合物的几何结构和电子特征;从配体环境出发,总结了关联三个独立的金属位点的配位环境特征;在催化应用方面,重点综述了三核过渡金属配合物在涉及特定化学键活化反应的催化作用机制,最后对三核过渡金属配合物的催化应用前景进行展望. 相似文献