José Elguero
Spanish National Research Council
1397 Papers
14.9K Citations
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. Previous affiliations of José Elguero include Université Paul Cézanne Aix-Marseille III & Complutense University of Madrid.
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Papers
A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole- 4-carboxylato}sodium dihydrate
Ibon Alkorta,José Elguero,María Ángeles García,Concepción López,Rosa M. Claramunt,Gabriel A. Andrade,Glenn P. A. Yap +6 more
TL;DR: A low-resolution X-ray molecular structure of the title hydrated salt, [Na(C19H21N6O6)]·2H2O, displays scorpionate character and resolves apparent ambiguities between solution and solid-state NMR spectroscopies.
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The structures of two aldazines: [1,1'-(1E,1'E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)dinaphthalen-2-ol] (Lumogen) and 2,2'-(1E,1'E)-hydrazine-1,2-diylidenebis(methan-1-yl-1-ylidene)diphenol (salicylaldazine) in the solid state and in solution.
Artur M. S. Silva,Vera L. M. Silva,Rosa M. Claramunt,Dolores Santa María,Marta B. Ferraro,Felipe Reviriego,Ibon Alkorta,José Elguero +7 more
TL;DR: A combination of NMR spectroscopy and theoretical methods Density functional theory including dispersion corrections (DFT‐D) was used to study the structures of Lumogen and salicylaldazine.
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Host-guest compounds. x-ray structure, differential scanning calorimetry, and thermogravimetry of methanol, ethanol, isopropanol, tert-butanol and dioxame Inclusion compounds in 7-benzoyl-6-phenyl-6,7-dihydro-1-methyl-3-methylthio-5-1.2,4-triazolo[3.4-][1,3,4]thiadiazinium bromide
Concha Foces-Foces,Felix H. Cano,Pedro Molina,Mateo Alajarin,M. J. Perez De Vega,J. Palazon,R. M. Claramunt,José Elguero +7 more
TL;DR: In this paper, the crystal structures of 1a, 1b, 1.EtOH, 1c, 1.iPrOH and 1d, 1 2tBuOH have been studied by X-ray diffraction.
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Theoretical studies of perimidine and its derivatives: structures, energies, and spectra
Ibon Alkorta,José Elguero +1 more
TL;DR: Theoretical calculations at the B3LYP/6-311++G(d,p) level plus GIAO calculations for NMR absolute shieldings have been carried out for the parent perimidine and several of its derivatives as mentioned in this paper.
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