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
Mutual Influence of Pnicogen Bonds and Beryllium Bonds: Energies and Structures in the Spotlight
Ibon Alkorta,José Elguero,Janet E. Del Bene,Otilia Mó,M. Merced Montero-Campillo,Manuel Yáñez +5 more
TL;DR: Pnicogen bonds, which are weak non-covalent interactions (NCIs), can be significantly modified by the presence of beryllium bonds, one of the strongest NCIs known, are demonstrated by studying ternary complexes.
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Carbon-13 NMR studies of primary amines and their corresponding 2,4,6-trimethyl-pyridinium salts
TL;DR: The 13C NMR chemical shifts of 37 N-substituted 2,4,6-trimethylpyridinium (TMP) salts with alkyl, aralkyl, aryl and hetero-aryl Nsubstituents are reported and discussed in comparison with those of the corresponding primary amines RNH2 as mentioned in this paper.
15
Polynuclear rhodium(I) complexes with 3,3′,5,5′-tetramethyl-4,4′-bipyrazole and 4,4′-methylen-bis(3,5-dimethylpyrazole)
TL;DR: In this paper, the reaction of [RhClY2]2 with 3,3′,5,5′-tetramethyl-4,4′-bipyrazole (H2LL) leads to binuclear complexes of the type (H 2LL)
15
Synthesis of (E)- and (Z)-3(5)-(2-hydroxyphenyl)-4-styrylpyrazoles
TL;DR: In this article, an efficient synthesis method for the preparation of new (Z)- and (E)-3(5)-(2-hydroxyphenyl)-4-nitrostyryl pyrazoles was developed.
15
Tris(pyrazol-1-yl)-s-triazine (TPT): X-ray crystallographic, computational, and gas-phase electron diffraction studies
Aurea Echevarria,José Elguero,Antonio L. Llamas-Saiz,Concepción Foces-Foces,György Schultz,István Hargittai +5 more
Abstract: The conformation of the TPT molecule has been analyzed using experimental and computational techniques. The solid-state molecular structure shows similar conformational features to those in the 2-pyrimidine and phenyl derivatives although a different pattern of bond angles in the triazine ring was observed. The AM1 calculations predicted two conformations of comparable stability (ΔE=1.8 kcal/mol) differing in the orientation of one pyrazole ring. While the minimum energy conformation corresponds to a model displayingC
3h
symmetry (φ
1=φ
2=φ
3=0°), the other minimum (φ
1=φ
2=0°,φ
3=180°) is close to that observed in the solid state. The electron diffraction results are consistent with a planar or nearly planar conformation in agreement with the preceding studies.
15