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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Vibrational spectra of N-methylpyrazole: an experimental and theoretical study
TL;DR: In this article, the gas-phase infrared spectrum of N -methylpyrazole was measured in the range 5000-500 cm −1 and with a resolution of 0.5 cm − 1.
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Basicity of azoles. IV. Empirical relationships between basicity and ionization potential for aromatic five membered rings containing nitrogen or oxygen
Javier Catalán,José Elguero +1 more
TL;DR: A plot of pKa values for eleven azoles and benzazoles vs the experimental ionization energy of the nitrogen lone pair shows the existence of three groups of compounds: simple unsubstituted azoles, pyrazole, oxazole, isoxazole and benzoxazoles carrying a methyl group α- to the basic centre.
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Etudes par RMN en serie heterocyclique–III. Non‐equivalence magnetique et inversion de l'azote dans une serie d'heteocycles pentagonaux diazotes, pyrazolines‐2 et 3, pyrazolidines et pyrazolidones
José Elguero,C. Marzin,D. Tizané +2 more
TL;DR: The non-equivalence of ethyl, benzyl and isopropyl groups fixed on nitrogen atoms in 2-and 3-pyrazolines, pyrazolis, and pyrazolidones depends on the assymetry existing in the molecule as mentioned in this paper.
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Simultaneous interactions of anions and cations with cyclohexane and adamantane: aliphatic cyclic hydrocarbons as charge insulators.
TL;DR: The density functional theory-symmetry adapted perturbation theory analysis of the interaction energies shows that the most important term in the complex with cations is the induction, while in the complexes with anion and with cATIONS and anions simultaneously the mostImportant term is the repulsion-exchange one.
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Exploring N…C tetrel and O…S chalcogen bonds in HN(CH)SX:OCS systems, for X = F, NC, Cl, CN, CCH, and H
TL;DR: In this paper, MP2/aug’-cc-pVTZ calculations were carried out to investigate HN(CH)SX:OCS potential energy surfaces.