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
Polyynes vs. Cumulenes: Their Possible Use as Molecular Wires
Ibon Alkorta,José Elguero +1 more
TL;DR: In this paper, the B3LYP/6-311++G** level and their energies compared using an isodesmic reaction were calculated for polyynes and cumulenes from 2-12 atoms.
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Dipole moments can be used to determine the conformation of calix[4]arenes
Javier de Mendoza,Pilar Prados,Nuria Campillo,Pedro M. Nieto,Concha Sáchez,Jean-Pierre Fayet,Marie Claire Vertut,Carlos Jaime,José Elguero +8 more
TL;DR: Experimental dipole moments for nine calix[4]arenes of known conformation are reported in this paper, and an additive model, based on MNDO calculations, has been used to discuss these values, as well as three reported other Dipole moments.
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Iminophosphorane-mediated synthesis of fused [1,2,4]triazines: preparation of the novel [1,2,4]triazino[4,3-b][1,2,4,5]tetrazine ring system
TL;DR: In this article, the N-aminoheterocycle 4amino-6-methyl-3-(l-methylhydrazino)-5-oxo-4,5-dihydro[1,2,4]triazine 2 reacts with carbonyl compounds to give 1.2,3,4-tetrahydro(1, 2,4,4)tetrazines 6 which undergo dehydrogenation by the action of DDQ to give 5.
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A theoretical study of the gas phase (proton affinity) and aqueous (pKa) basicity of a series of 150 pyrazoles
TL;DR: In this paper, the basicity of a set of 150 pyrazoles covering a range of about 200 kJ mol−1 in proton affinity and 10-15 pKa units was investigated.
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Synthesis of 6,7-dihydro-5H-1,2,4-triazolo[3,4-b][1,3,4]thiadiazines by a C–C ring cyclization under mild conditions
Pedro Molina,Mateo Alajarin,Ma. Jesús Pérez de Veg,Ma de la Concepción Foces-Foces,Felix H. Cano,Rosa Ma Claramunt,José Elguero +6 more
TL;DR: In this article, the structure of 7-aroyl-6-aryl has been determined by X-ray crystallography, which incorporates dioxane molecules and the bromide ion is sandwiched between two units.