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41.
42.
Pérez-Prieto J Galian RE Miranda MA Catalina F Martín-Vargas N López-Ortiz F 《Organic letters》2004,6(4):561-564
[reaction: see text] Several benzo[d]-1,2-oxaphosphole 2-oxides were examined as potential precursors of stabilized C-centered radicals. The transient absorption spectra obtained after laser flash photolysis in the presence of di-tert-butyl peroxide showed the features of benzylic radicals with formation and decay kinetics not significantly influenced by the presence of oxygen. In the case of compounds with two possible diastereomeric forms, the C-H bond of the trans-isomers [corrected] is more reactive toward hydrogen abstraction. 相似文献
43.
Triflate abstraction from the complex [Re(OTf)(CO)(3)(bipy)] (1) using the salt NaBAr'(4) (Ar' = 3,5-bis(trifluoromethyl)phenyl) in dichloromethane solution in the presence of L = PPh(3), NCMe, NCPh, imines, ketones, Et(2)O, THF, MeOH, and MeI affords cationic complexes [Re(L)(CO)(3)(bipy)](+) as their BAr'(4)(-) salts. The new complexes have been characterized spectroscopically and, for [Re(eta(1)-O=C(Me)R)(CO)(3)(bipy)]BAr'(4) (R = CH(3), 6a; R = Ph, 6b), and [Re(THF)(CO)(3)(bipy)]BAr'(4) (9), also by single-crystal X-ray diffraction. Compared with conventional methodologies, the route reported here allows the coordination of a broader range of weakly coordinating ligands and requires considerably milder conditions. On the other hand, the reactions of lithium acetylides with [Re(THF)(CO)(3)(bipy)]BAr'(4) (9) can be used for the high-yield syntheses of rhenium alkynyls [Re(Ctbd1;CR)(CO)(3)(bipy)] (R = Ph, 12; R = SiMe(3), 13). Complex 9 was found to catalyze the aziridination of benzylideneaniline with ethyl diazoacetate. 相似文献
44.
Francisco García-Montelongo María J. Sánchez Miguel A. Rodríguez 《Mikrochimica acta》1989,98(4-6):259-265
A spectrophotometric method for cyanide based on its inhibition of the colour formation reaction between nickel(II) and 3-(4,5-dimethyl-2-thiazolylazo)-2,6-dihydroxybenzoic acid has been developed, and allows the determination of down to 0.1 g of cyanide. Most of the interferences can be avoided by displacement of the hydrogen cyanide using an arsine generator. 相似文献
45.
Carlos Cativiela Maria D. Diaz De Villegas Jos A. Mayoral Alberto Avenoza Miguel A. Roy 《Journal of heterocyclic chemistry》1988,25(3):851-855
3(5)-Carbomethoxy-4-hetarylpyrazoles 3 can be obtained by the aromatization of the corresponding cis-3-benzamido-3-carbomethoxy-4-hetaryl-Δ1-pyrazolines 2 obtained by 1,3-dipolar cycloaddition of diazo-methane with methyl Z-2-benzamido-3-hetarylpropenoates 1. An explanation, based on FMO theory, for the different reactivity of the dipolarophiles with diazomethane is given. 相似文献
46.
Manuel Urbano Cuadrado Gonzalo Cerruela García Irene Luque Ruiz Miguel Ángel Gómez-Nieto 《Journal of mathematical chemistry》2006,40(1):15-27
A method for the treatment of long-dimensional chemical data arrays is presented in this work with the aim of maximising classification models. The method is based on the construction of fingerprints and the subsequent generation of a similarity matrix. The similarity calculation has been modified through a scaling process to take into account different significance shown by the variables. The method was applied to spectral measurements of wines and several aspects were studied, namely: threshold considered in the construction of fingerprints and patterns, weighting factor used for scaling, normalisation method, etc. The application of both Principal Components Analysis and Soft-Independent Modelling of Class Analogies to the similarity matrices gave better classifications of the information than those obtained using original data. 相似文献
47.
Basurto S García S Neo AG Torroba T Marcos CF Miguel D Barberá J Ros MB de la Fuente MR 《Chemistry (Weinheim an der Bergstrasse, Germany)》2005,11(18):5362-5376
Several new liquid-crystalline indene and pseudoazulene systems are reported. These molecules give rise to either columnar hexagonal mesophases and/or columnar plastic phases. The unique nature of these compounds stems from their non-classical discotic structure. Although the molecules have rigid aromatic cores, they lack terminal tails and instead the polarizable atoms (S, halogens) or polar groups (CN, CO) act as unusual soft parts. On the basis of many structurally related materials, we conclude that for this type of compound molecular stacking in the solid state is a prerequisite for the appearance of a columnar mesophase, although other intermolecular interactions within the layers are also important in establishing liquid-crystalline order. The behavior reported for these mesomorphic molecules opens up new possibilities in the search for related molecular interactions that might be useful for the construction of supramolecular architectures with particular properties. 相似文献
48.
M. Jesús Rodríguez M. Isabel Fernndez Ana M. Gonzlez‐Noya Marcelino Maneiro Rosa Pedrido Miguel Vzquez Bruno Donnadieu Manuel R. Bermejo 《无机化学与普通化学杂志》2005,631(11):2161-2166
M(HL)(H2O)n complexes have been obtained by the electrochemical reaction of Fe, Co, Ni, Cu, Zn and Cd anodes with the potentially pentadentate and trianionic asymmetrical Schiff base 3‐aza‐N‐{2‐[1‐aza‐2‐(5‐nitro‐2‐hydroxylphenyl)‐vinyl]phenyl}‐4‐(5‐nitro‐2‐hydroxyphenyl)but‐3‐enamide (H3L), containing a hard amido donor atom. The complexes have been characterized by elemental analysis, mass spectrometry, IR and 1H NMR spectroscopies, magnetic measurements and molar conductivities. Co(HL)(H2O) ( 2 ) has been found to rearrange in DMF solution into a crystallographically solved octahedral complex, CoL1(H2O)2 ( 7 ) [where H2L1 is the symmetrical Schiff base ligand N,N′‐(1,2‐phenylene)‐bis(5‐nitro‐3‐hydroxysalicylidenimine)]. A hydrolysis mechanism is discussed to explain this rearrangement. 相似文献
49.
Fernandes MX Kairys V Gilson MK 《Journal of chemical information and computer sciences》2004,44(6):1961-1970
Standard uses of ligand-receptor docking typically focus on the association of candidate ligands with a single targeted receptor, but actual applications increasingly require comparisons across multiple receptors. This study demonstrates that comparative docking to multiple receptors can help to select homology models for virtual compound screening and to discover ligands that bind to one set of receptors but not to another, potentially similar, set. A serial docking algorithm is furthermore described that reduces the computational costs of such calculations by testing compounds against a series of receptor structures and discarding a compound as soon as it fails to satisfy specified bind/no bind criteria for each receptor. The algorithm also realizes substantial efficiencies by taking advantage of the fact that a ligand typically binds in similar conformations to similar receptors. Thus, once detailed docking has been used to fit a ligand into the first of a series of similar receptors, much less extensive calculations can be used for the remaining structures. 相似文献
50.
Aurora Molinari Alfonso Oliva Luc Snchez Arturo San Feliciano 《Journal of heterocyclic chemistry》1997,34(4):1297-1299
1-Phenyl-3,5-dioxopyrazolidine 1 reacts with carbon disufide and alkyl halides in presence of excess of sodium acetate in dimethylformamide to afford the ketene dithioacetals 3a-h . The 13C chemical shift assignments of these compounds were made on the basis of two-dimensional nmr studies performed on the N-methylketene dithioacetal derivative 4. 相似文献