J
José Elguero
Researcher at Spanish National Research Council
Publications - 1374
Citations - 31355
José Elguero is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Hydrogen bond & Tautomer. The author has an hindex of 69, co-authored 1346 publications receiving 29017 citations. Previous affiliations of José Elguero include Université Paul Cézanne Aix-Marseille III & Complutense University of Madrid.
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Aromatic changes in isoelectronic derivatives of phenalenyl radicals by central carbon replacement
TL;DR: In this paper, a computational study of the aromatic characteristics of phenalenyl (PLY) was performed at the B3LYP/6-311++G(d,p) level.
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The influence of chain elongation on Karplus-type relationships: a DFT study of scalar coupling constants in polyacetylene derivatives
Ibon Alkorta,José Elguero +1 more
TL;DR: The coupling constants of a series of acetylenic derivatives have been calculated using the finite perturbation method and a Karplus-type relationship has been obtained for coupling constant of hydrogen atoms separated up to 15 bonds.
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Neutral Alkaline-Metal and Alkaline-Earth-Metal Derivatives of Imidazole and Benzimidazole
TL;DR: A theoretical study of the minima and connecting transition states of the neutral complexes formed by alkaline- Metal-earth-metal derivatives of imidazolate and benzimidazole anions found that some of the metal-aromatic interactions follow the classical π-cation pattern, even though the global structure corresponds to a neutral salt.
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Chiral distinction in square planar Pt and Pd complexes of 2,2'-bipyridine derivatives
TL;DR: In this paper, a computational study of square planar organometallic complexes formed by the ligand 2,2′-bipyridine and all its possible difluoro derivatives in analogous position of the aromatic rings was carried out.
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1H, 13C, and 15N NMR analysis of Tröger's base and of some of its [15N1] labelled precursors
TL;DR: One-and two-dimensional NMR spectra of Troger's base have been used to determine the chemical shifts, coupling constants, and Δ13C(15N) isotope shifts.