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.
Papers
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Journal ArticleDOI
Theoretical models of directional proton molecular transport
Ibon Alkorta,José Elguero +1 more
TL;DR: B3LYP/6-31+G** and PW91 DFT calculations on model compounds show that these compounds could play the role of proton conductors and an alternative conductor based on chains of lone pairs is proposed.
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Can HNNH, FNNH, or HNCHOH bridge the σ-hole and the lone pair at P in binary complexes with H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H?
TL;DR: In this paper, the properties of complexes formed between H2XP, for X = F, Cl, NC, OH, CN, CCH, CH3, and H, and the possible bridging molecules HNNH, FNNH and HNCHOH were investigated.
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"Gas-phase-like" behavior in solution chemistry
Jose Luis M. Abboud,Rafael Notario,Michel Berthelot,Rosa M. Claramunt,Pilar Cabildo,José Elguero,Mohammed J. El Ghomari,Wided Bouab,R. Mokhlisse,Georges Guiheneuf +9 more
TL;DR: In this paper, the standard free-energy changes for reactions i and ii, AG,+(g) and AGo12(soln), are compared: B(g) + H+g) ~2 BH+g + AG+12−soln s B12−Soln s, Bs are S(sp3) and N(sp2 and sp') n-donor bases.
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Arene–Ruthenium Chemistry and Brønsted Acid Catalysis of a Chiral Phosphane-Hydroxyl Ligand
Daniel Carmona,M. Pilar Lamata,Pilar Pardo,Ricardo Rodríguez,Fernando J. Lahoz,Pilar García-Orduña,Ibon Alkorta,José Elguero,Luis A. Oro +8 more
TL;DR: The phosphane-hydroxyl ligand (SC1,RC2)-Ph2PC(Ph)HC(OH)HCH2OMe (POH) has strong acidic properties as mentioned in this paper.
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Potential Energy Surfaces of HN(CH)SX:CO2 for X = F, Cl, NC, CN, CCH, and H: N···C Tetrel Bonds and O···S Chalcogen Bonds.
TL;DR: In this paper, the authors performed MP2/aug'-cc-pVTZ calculations on the HN(CH)SX:CO2 potential energy surfaces, for X = F, Cl, NC, CN, CCH, and H.