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AM Cardoso SM Alexandre CM Barros AJ Correia NM Nibbering 《Rapid communications in mass spectrometry : RCM》1999,13(19):1885-1888
The collision-induced dissociation (CID) of deprotonated arylalkylamines of general formula R(1)C(6)H(4)CHR(2)CH(2)NR(3)(2) (where R(1) = H, OH, F or NO(2); R(2) = H or OH; R(3) = H or CH(3)) generated by negative chemical ionization with H(2)O and D(2)O as ionizing reagents, is discussed. The negative chemical ionization mass spectra show that, in the absence of a hydroxy group in the aromatic ring, deprotonation takes place at the benzylic position whereas the proton is lost from the OH group when present. The nitro compound forms only M(-.) ions. The CID spectra of the deprotonated molecules show that fragmentations are strongly dependent on the structural features of the molecules, namely the presence or absence of substituents in the aromatic ring or aliphatic chain. Copyright 1999 John Wiley & Sons, Ltd. 相似文献
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Lucas Popek Murat Cihan Dr. Nicolas Blanchard Dr. Vincent Bizet 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2024,136(7):e202315909
A palladium-catalyzed synthesis of 2-SF5-indenols has been developed by reacting commercially available boronic acid derivatives and readily accessible SF5-alkynes. The present methodology is fully regioselective thanks to the intrinsic polarization of SF5-alkynes. A selection of downstream functionalizations has been performed to highlight the versatility of 2-SF5-indenols and indenones as platforms for the design of more complex SF5-containing molecules. 相似文献
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We analyse the evolution of a two-stage chemical reaction betweentwo neighbouring plumes of reactants. Under the assumption thatthe plumes are approximately Gaussian we derive a system ofordinary differential equations for the total amount, the centroidand the variance of each reactant. We compare the solution ofthese equations with full numerical simulation of the reaction.Excellent agreement is obtained, with solution of the near-Gaussianmodel requiring considerably less computational effort thanthe full simulations. Of key importance is the yield of thereaction, and we discuss this feature in particular. 相似文献
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This paper outlines the benefits of computational steering for high performance computing applications. Lattice-Boltzmann mesoscale fluid simulations of binary and ternary amphiphilic fluids in two and three dimensions are used to illustrate the substantial improvements which computational steering offers in terms of resource efficiency and time to discover new physics. We discuss details of our current steering implementations and describe their future outlook with the advent of computational grids. 相似文献
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空气中激光烧蚀Cu产生等离子体发射光谱的研究 总被引:6,自引:3,他引:3
利用Q-开关Nd:YAG激光器产生的1.06 μm、10 ns的脉冲激光聚焦在空气中的Cu靶上,观测了激光诱导的Cu等离子体发射光谱.采用不同的激光能量,分析了波长范围为440 nm到540 nm的空间分辨发射光谱.在局部热力学平衡(LTE)条件近似下,根据谱线的相对强度,得到了等离子体电子温度约在104 K以上,给出了靶面附近电子温度的空间演化规律,并探讨了N(Ⅱ)500.52 nm谱线的谱线强度和半高全宽随激光能量的变化规律. 相似文献
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Krzysztof Sierosawski Tomasz Popek Tadeusz Lis 《Acta Crystallographica. Section C, Structural Chemistry》2004,60(7):m327-m329
The crystal structure of the title compound, K+·C6H4NO6S−, is built up from p‐nitrophenyl sulfate anions and potassium cations. Adjacent anions form dimers, which are linked together in a three‐dimensional network via short C—H⋯O contacts. The coordination sphere of the K+ ions may be described as a distorted square antiprism. The crystal structure is further stabilized by π–π stacking interactions between the aryl rings. 相似文献