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151.
Felipe Wodtke Fernando R. Xavier Samuel R. Mendes Alfredo R.M. de Oliveira Rogério A. Gariani 《Tetrahedron letters》2017,58(3):231-234
A novel application of the highly stable niobium oxide phosphate (NbOPO4) as an efficient catalyst for the synthesis of β-enamino ketones under solvent-free conditions is described. This protocol, exhibits attractive yields, short reaction periods, lower loading of catalyst and high chemoselectivity. 相似文献
152.
Pablo López-Tarifa Marie-Anne Hervé du Penhoat Rodophe Vuilleumier Marie-Pierre Gaigeot Ursula Rothlisberger Ivano Tavernelli Arnaud Le Padellec Jean-Philippe Champeaux Manuel Alcamí Patrick Moretto-Capelle Fernando Martín Marie-Françoise Politis 《Central European Journal of Physics》2014,12(2):97-102
We use time-dependent density functional theory and Born-Oppenheimer molecular dynamics methods to investigate the fragmentation of doubly ionized uracil in gas phase. Different initial electronic excited states of the dication are obtained by removing electrons from different inner-shell orbitals of the neutral species. We show that shape-equivalent orbitals lead to very different fragmentation patterns revealing the importance of the intramolecular chemical environment. The results are in good agreement with ionion coincidence measurements of uracil collision with 100 keV protons. 相似文献
153.
Martins Marina Roberto Johann Gracielle Palú Fernando da Silva Edson Antonio 《Journal of Thermal Analysis and Calorimetry》2022,147(13):7411-7420
Journal of Thermal Analysis and Calorimetry - Due to the huge variety of therapeutic properties found in plant leaves, many of these are widely used in traditional medicine. Among these plants,... 相似文献
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156.
Fernando Castañeda Paul Silva M. Teresa Garland Ata Shirazi Clifford A. Bunton 《Phosphorus, sulfur, and silicon and the related elements》2013,188(8):2152-2168
The phosphonium ylidic diesters, methyl and ethyl isopropyl and, methyl and ethyl t-butyl triphenylphosphoranylidene malonates, 1a,b and 2a,b , respectively, have the syn-anti conformation in solution, as in the crystal, and the bulkier alkoxy group is oriented towards phosphorus. The 1 H NMR spectra show that in 1a,b , the isopropyl group is oriented towards the face of a phenyl group, consistent with π shielding in the 1 H signals, and examination of the 1 H coupled 13 C NMR spectra allows assignment of the acyl carbon signals. Computed bond lengths and angles for isolated molecules are similar to those in the crystal, and the geometry and the NMR spectra indicate extensive ylidic resonance. Estimated partial atomic charges on the ester oxygens are more negative when they are oriented towards, rather than away from, phosphorus. 相似文献
157.
José Barluenga Fernando López 《Phosphorus, sulfur, and silicon and the related elements》2013,188(3-4)
Abstract Whereas several procedures have been developed for synthesizing λ3-phospholes and their oxides and sulphides1, access to 2H-λ5-Phospholes is limited to the reaction of phosphines2 with Dimethyl Acetylen-dicarboxilate (DMAD) and only unstable 3H-λ5-Phospholes were detected2 when diphenylvinylphosphine were used. 相似文献
158.
Fernando R. Díaz Jorge L. Torres M. Angélica Del Valle Jorge H. Vélez J. Christian BernÈde Gastón A. East 《高分子科学杂志,A辑:纯化学与应用化学》2013,50(10):1101-1108
Poly(3,5‐dichloroaniline) was prepared by chemical oxidation in the presence of various sulfonic acids as doping agent, using potassium permanganate as oxidant. 1‐Naphtalene sulfonic acid, 2‐naphatalene sulphonic acid, 1,5‐naphtalene disulfonic acid, and p‐toluenesulfonic acid were the acids of choice. Infrared and UV‐Vis spectroscopy, utilized to characterize the polymers, revealed that the compounds exist in the emeraldine (conductive) oxidation state. The level of doping, conductivity, and morphology were determined as well. The presence of a sulfonic acid produces a morphological change, from granular to microtubule structures, which is responsible for the strong increase in the conductivity of the polymer. 相似文献
159.
Dr. María Jose Capitán Dr. Jesús Álvarez Dr. Yang Wang Dr. Roberto Otero Dr. Manuel Alcamí Prof. Fernando Martín Prof. Rodolfo Miranda 《Chemphyschem》2013,14(14):3294-3302
The structure and stability of adenine crystals and thin layers has been studied by using scanning tunneling microscopy, X‐ray diffraction, and density functional theory calculations. We have found that adenine crystals can be grown in two phases that are energetically quasi‐degenerate, the structure of which can be described as a pile‐up of 2D adenine planes. In each plane, the structure can be described as an aggregation of adenine dimers. Under certain conditions, kinetic effects can favor the growth of the less stable phase. These results have been used to understand the growth of adenine thin films on gold under ultra‐high vacuum conditions. We have found that the grown phase corresponds to the α‐phase, which is composed of stacked prochiral planes. In this way, the adenine nanocrystals exhibit a surface that is enantiopure. These results could open new insight into the applications of adenine in biological, medical, and enantioselective or pharmaceutical fields. 相似文献
160.