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
Acidity and Basicity of Indazole and its N-Methyl Derivatives in the Ground and in the Excited State
Javier Catalán,Juan Carlos del Valle,Rosa M. Claramunt,Gérard Boyer,José Laynez,Javier Gómez,Pilar Jiménez,Francisco Tomás,José Elguero +8 more
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Orientation de la réaction d'alkylation des pyrazoles dans des conditions neutres et en catalyse par transfert de phase
TL;DR: The n-butylation and N-benzylation of nine pyrazoles bearing different substituents in positions 3 and 5 have been studied in neutral and basic medium (phase transfert catalysis) as discussed by the authors.
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Periodic trends in bond dissociation energies. A theoretical study
TL;DR: Bond dissociation energies (BDEs) of all possible A-X single bonds involving the first- and second-row atoms, from Li to Cl, where the free valences are saturated by hydrogens, have been estimated through the use of the G3-theory and at the B3LYP/6-311+G(3df,2pd)//B2df,p) DFT level of theory.
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Pnicogen-bonded anionic complexes
TL;DR: Ab initio MP2/aug'-cc-pVTZ calculations have been carried out to investigate the pnicogen-bonded complexes H2YP:X(-, for X,Y = Cl, NC, F, CCH, and CH3, where the smallest negative charge occurs in the symmetric complex.
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Characterizing complexes with pnicogen bonds involving sp2 hybridized phosphorus atoms: (H2C═PX)2 with X = F, Cl, OH, CN, NC, CCH, H, CH3, and BH2.
TL;DR: P chemical shielding patterns are consistent with the changing nature of the interactions which stabilize (H2C═PX)2 complexes, and nonplanar C' conformations with structures in which the monomers essentially retain their symmetry plane, but the plane of one molecule is rotated about the P···P bond relative to the other.