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
More filters
Journal ArticleDOI
Description of Heterocyclic Substituents: A Free‐Wilson Type Approach Using D‐Optimal Designs
TL;DR: In this article, a set of heterocyclic compounds (eighteen carboxaldehydes and their corresponding carboxylic acids) containing only one heteroatom was prepared and some spectroscopical properties were used as experimental responses.
Journal ArticleDOI
A SOPPA theoretical study of the spin–spin coupling constants of all fluorobenzenes C6HnF6−n (n = 0–5)
TL;DR: In this article, the 295 experimental spin-spin coupling constants (SSCC) determined for fluorobenzenes were compared with the calculated ones using the second-order polarization propagator approximation (SOPPA).
Journal ArticleDOI
Chiral self-assembly of enantiomerically pure (4S,7R)-campho[2,3-c]pyrazole in the solid state: a vibrational circular dichroism (VCD) and computational study
María Mar Quesada-Moreno,Juan Ramón Avilés-Moreno,Juan Jesús López-González,Rosa M. Claramunt,Concepción López,Ibon Alkorta,José Elguero +6 more
TL;DR: In this paper, the chiral structure of (4S,7R)-campho[2,3-c]pyrazole was studied both in solution (CCl4) and in the solid phase (crystal).
Journal ArticleDOI
Etude de quelques dérivés N-3-substitués et N-1,N-3-disubstitués de la cyclohexanospirohydantoîne
TL;DR: In this paper, the cyclohexanospirohydantion reaction products have been studied by 13C nmr in order to indentify mono and disubstituted derivatives and to determine the substituent position.
Journal ArticleDOI
Halogen Bonding Involving CO and CS with Carbon as the Electron Donor.
TL;DR: Calculations have been carried out to investigate the halogen-bonded complexes formed when CO and CS act as electron-pair donors through C to ClF, ClNC, ClCl, ClOH, ClCN, ClCCH, and ClNH2, finding that SC:ClNH2 complex has an unusual structure and spin–spin coupling constants 1xJ(C–Cl) for OC:ClY complexes increase with decreasing distance.