9 resultados para Br-PADAP
em Consorci de Serveis Universitaris de Catalunya (CSUC), Spain
Resumo:
Møller-Plesset (MP2) and Becke-3-Lee-Yang-Parr (B3LYP) calculations have been used to compare the geometrical parameters, hydrogen-bonding properties, vibrational frequencies and relative energies for several X- and X+ hydrogen peroxide complexes. The geometries and interaction energies were corrected for the basis set superposition error (BSSE) in all the complexes (1-5), using the full counterpoise method, yielding small BSSE values for the 6-311 + G(3df,2p) basis set used. The interaction energies calculated ranged from medium to strong hydrogen-bonding systems (1-3) and strong electrostatic interactions (4 and 5). The molecular interactions have been characterized using the atoms in molecules theory (AIM), and by the analysis of the vibrational frequencies. The minima on the BSSE-counterpoise corrected potential-energy surface (PES) have been determined as described by S. Simón, M. Duran, and J. J. Dannenberg, and the results were compared with the uncorrected PES
Resumo:
Nota breu sobre la descripció de Botrychium matricariifolium A. Br. ex Koch al massís del Montseny
Resumo:
L'anàlisi de nombrosos inventaris procedents dels Pirineus centrals i orientals ens ha dut a realitzar una revisió de I'aliança Polygonion avicularis Br.-Bl. ex Dich 1933 en aquesta àrea. Reconeixem fins al moment sis associacions per a les quals donem la seva caracterització florística i ecologica, així com la seva distribució als Pirineus catalans. Descrivim, a més, una subass. scleranthetosum uncinatae del Rumici-Spergularietum rubrae, comunitat altimontana i subalpina pròpia dels sòls calcigats.
Resumo:
Debido a su acumdación en las salmueras de las cubetas de deposición evaporítica, el Br se concentra progresivamente en los ultimos precipitados de los cloruros. La relación Br/Cl ha sido utilizada (BOEKE y EITEL, 1923; D'ANS y KÜHN, 1944) para determinar variaciones en la concentración de la salmuera durante la deposición evaporítica. Para la determinación cuantitativa del Br y CL en varias muestras recogidas en la explotación de Sallent, se ha utilizado la fluorescencia de rayos X.
Resumo:
Nota breu de flora sobre la presència de dos isoets amfibis que apareixen en algunes depressions inundables de terrenys granítics de l'Alt Empordà, a St. Climent Sescebes i Cantallops (DG 99), sovint acompanyant Elatine brochonii Clavaud
Resumo:
Reactions of 2-acetylindole enolate with unsaturated oxazolopiperidones 3, 4 and 10 unexpectedly gives pentacyclic dilactams 6, 7 and 11, respectively, resulting from a domino-type process involving two successive conjugate additions and a final cyclization.
Resumo:
The counteranion exchange of quaternary 1,2,3-triazolium salts was examined using a simple method that permitted halide ions to be swap for a variety of anions using an anion exchange resin (A¯ form). The method was applied to 1,2,3-triazolium-based ionic liquids and the iodideto- anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Additionally, an anion exchange resin (N3¯ form) was used to obtain the benzyl azide from benzyl halide under mild reaction. Likewise, following a similar protocol, bis(azidomethyl)arenes were also synthesized in excellent yields. The results of a proton NMR spectroscopic study of simple azolium-based ion pairs are discussed, with attention focused on the significance of the charged-assisted (CH)+···anion hydrogen bonds of simple azolium systems such as 1-butyl-3-methylimidazolium and 1-benzyl-3-methyl-1,2,3-triazolium salts.
Resumo:
The counteranion exchange of quaternary 1,2,3-triazolium salts was examined using a simple method that permitted halide ions to be swap for a variety of anions using an anion exchange resin (A¯ form). The method was applied to 1,2,3-triazolium-based ionic liquids and the iodideto- anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Additionally, an anion exchange resin (N3¯ form) was used to obtain the benzyl azide from benzyl halide under mild reaction. Likewise, following a similar protocol, bis(azidomethyl)arenes were also synthesized in excellent yields. The results of a proton NMR spectroscopic study of simple azolium-based ion pairs are discussed, with attention focused on the significance of the charged-assisted (CH)+···anion hydrogen bonds of simple azolium systems such as 1-butyl-3-methylimidazolium and 1-benzyl-3-methyl-1,2,3-triazolium salts.
Resumo:
The counteranion exchange of quaternary 1,2,3-triazolium salts was examined using a simple method that permitted halide ions to be swap for a variety of anions using an anion exchange resin (A¯ form). The method was applied to 1,2,3-triazolium-based ionic liquids and the iodideto- anion exchange proceeded in excellent to quantitative yields, concomitantly removing halide impurities. Additionally, an anion exchange resin (N3¯ form) was used to obtain the benzyl azide from benzyl halide under mild reaction. Likewise, following a similar protocol, bis(azidomethyl)arenes were also synthesized in excellent yields. The results of a proton NMR spectroscopic study of simple azolium-based ion pairs are discussed, with attention focused on the significance of the charged-assisted (CH)+···anion hydrogen bonds of simple azolium systems such as 1-butyl-3-methylimidazolium and 1-benzyl-3-methyl-1,2,3-triazolium salts.