Publicaciones 2011-2020

@article{RN420,
title = {Activation of Electrophile/Nucleophile Pair by a Nucleophilic and Electrophilic Solvation in a Snar Reaction},
author = { B. Sanchez and C. Calderon and R.A. Tapia and R. Contreras and P.R. Campodonico},
url = {/brokenurl#<Go to ISI>://WOS:000447985400001},
doi = {10.3389/fchem.2018.00509},
issn = {2296-2646},
year = {2018},
date = {2018-01-01},
journal = {Frontiers in Chemistry},
volume = {6},
abstract = {Nucleophilic aromatic substitution reactions of 4-chloroquinazoline toward aniline and hydrazine were used as a model system to experimentally show that a substrate bearing heteroatoms on the aromatic ring as substituent is able to establish intramolecular hydrogen bond which may be activated by the reaction media and/or the nature of the nucleophile.},
keywords = {anion aromatic-substitution catalysis, effect, effects, electronic ionic liquids, mixtures, organic-reactions, potentials preferential reactions, secondary-amines, solvation, solvent solvent, temperature theory},
pubstate = {published},
tppubtype = {article}
}

@article{RN301,
title = {Evidence of the Disassembly of Alpha-Cyclodextrin-Octylamine Inclusion Compounds Conjugated to Gold Nanoparticles Via Thermal and Photothermal Effects},
author = { N. Silva and S. Moris and M. Diaz and N. Yutronic and E. Lang and B. Chornik and M.J. Kogan and P. Jara},
url = {/brokenurl#<Go to ISI>://WOS:000389918200026},
doi = {10.3390/molecules21111444},
year = {2016},
date = {2016-01-01},
journal = {Molecules},
volume = {21},
number = {11},
abstract = {Cyclodextrin (CD) molecules form inclusion compounds (ICs), generating dimers that are capable of encapsulating molecules derived from long-chain hydrocarbons. The aim of this study is to evaluate the structural changes experienced by ICs in solution with increasing temperatures. For this, a nuclear magnetic resonance (H-1-NMR) titration was performed to determinate the stoichiometric alpha-cyclodextrin (alpha-CD):octylamine (OA) 2:1 and binding constant (k = 2.16 M-2) of ICs. Solution samples of alpha-CD-OA ICs conjugated with gold nanoparticles (AuNPs) were prepared, and H-1-NMR spectra at different temperatures were recorded. Comparatively, H-1-NMR spectra of the sample irradiated with a laser with tunable wavelengths, with plasmons of conjugated AuNPs, were recorded. In this work, we present evidence of the disassembly of ICs conjugated with AuNPs. Thermal studies demonstrated that, at 114 degrees C, there are reversible rearrangements of the host and guests in the ICs in a solid state. Migration movements of the guest molecules from the CD cavity were monitored via temperature-dependent H-1-NMR, and were verified comparing the chemical shifts of octylamine dissolved in deuterated dimethylsulfoxide (DMSO-d(6)) with the OA molecule included in alpha-CD dissolved in the same solvent. It was observed that, at 117 degrees C, OA exited the alpha-CD cavity. CD IC dimer disassembly was also observed when the sample was irradiated with green laser light.},
keywords = {beta-cyclodextrin, complex, compounds, constants, core crystals, cyclodextrin, effects, gold inclusion nanoparticles, octylamine, photothermal},
pubstate = {published},
tppubtype = {article}
}

@article{RN86,
title = {Theoretical Study of the Local Reactivity of Electrophiles of the Type Mpr (3) (+) (M = Cu, Ag, Au ;R = -H, -Me, -Ph)},
author = { D. Burgos and C. Olea-Azar and F. Mendizabal},
url = {/brokenurl#<Go to ISI>://WOS:000303541900031},
doi = {10.1007/s00894-011-1213-2},
issn = {1610-2940},
year = {2012},
date = {2012-01-01},
journal = {Journal of Molecular Modeling},
volume = {18},
number = {5},
pages = {2021-2029},
abstract = {Reactivity prediction in the series of MPR (3) (+) fragments ( M = Au, Ag, Cu; R = -H, -Me, -Ph) has been achieved at the ab initio (HF and MP2) and density functional theory (B3LYP and PBE) levels. We have used global and local descriptors based on conceptual DFT such as hardness, Fukui function and electrophilicity index. For all methods and fragments, we have found an equal trend in reactivity using both the global and local electrophilicity index: QR-AuPR (3) (+) > CuPR (3) (+) a parts per thousand aEuro parts per thousand AgPR (3) (+) > NR-AuPR (3) (+) . It is also found that the electrophilicity power decreases as the volume of R increases.},
keywords = {approximation, chemistry complexes, effects, electrophile fragments, gold, hardness, quasi-relativistic reactivity, stability},
pubstate = {published},
tppubtype = {article}
}