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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Journal ArticleDOI
Towards the design of host-guest complexes: biotin and urea derivatives versus artificial receptors.
Rosa M. Claramunt,Fernando Herranz,M. Dolores Santa María,Carlos Jaime,Miguel de Federico,José Elguero +5 more
TL;DR: Kb values obtained by means of NMR titrations, in the right concentration range between 20 and 80% of saturation, correlate well with the energies provided by the molecular modeling study of the complexes.
Journal ArticleDOI
The interplay of hydrogen bonds and halogen bonds in the structure of NH-pyrazoles bearing C-aryl and C-halogen substituents
M. Ángeles García,Pilar Cabildo,Rosa M. Claramunt,Elena Pinilla,M. Rosario Torres,Ibon Alkorta,José Elguero +6 more
TL;DR: In this article, the behavior in solution and in the solid state of 3(5)-phenyl-1H-pyrazole (7), 3( 5)-p-chlorophenyl-4-bromo-1-H pyrazole 6b trimer is discussed in relation to their annular tautomerism.
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A 1H, 13C and 15N NMR study in solution and in the solid state of six N-substituted pyrazoles and indazoles.
TL;DR: The chemical shifts have been compared with GIAO/DFT calculated absolute shieldings and some discrepancies have been analyzed.
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NMR studies in the heterocyclic series XXIV—1H, 13C and 15N study of 15N labelled indazoles
TL;DR: In this article, the 15N chemical shifts and 1H15N and 13C15N coupling constants of nine monolabeled indazoles were measured and assigned, and the experimental values were discussed in terms of the indazolic and iso-indazolic structures, and compared with literature data for other related heterocycles.
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Aromatic systems with 10 π electrons derived from 3a-azapentalene. XXVIII. Electronic and molecular structure of the pyrazolo[1,5-d]tetrazole system
TL;DR: The molecular structure of 1,6-dimethyl-7-ethoxycarbonylpyrazolo[1,5-d]tetrazole, a 3a-azapentalene derivative having only nitrogens as ring heteroatoms, has been determined by X-ray dif-raction as discussed by the authors.