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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A New Entry to Bis‐Tröger’s Bases
TL;DR: In this paper, the use of p-phenylenediamine was used to prepare bis-Troger's bases and its structure was determined by mass spectrometry, 2D NMR spectroscopy, and X-ray crystallography.
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The structure of 3,5-bis(trifluoromethyl)pyrazole in the gas phase and in the solid state
Ibon Alkorta,José Elguero,Bruno Donnadieu,Michel Etienne,Joëlle Jaffart,David Schagen,Hans-Heinrich Limbach +6 more
TL;DR: The X-ray molecular structure of the important molecule 3,5-bis(trifluoromethyl)pyrazole has been determined at 120 K and gave crystals belonging to the triclinic Pspace group as mentioned in this paper.
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Complexes of CO₂ with the Azoles: Tetrel Bonds, Hydrogen Bonds and Other Secondary Interactions.
TL;DR: Ab initio MP2/aug’-cc-pVTZ calculations have been performed to investigate the complexes of CO2 with the azoles pyrrole, pyrazole, imidazole, 1, 2,3- and 1,2,4-triazoles, tetrazole and pentazole to provide consistent descriptions of these complexes.
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Cation–π interactions: Complexes of guanidinium and simple aromatic systems
TL;DR: In this article, the authors theoretically studied, in gas phase and using PCM-water solvation, the complexes established by guanidinium cation and simple aromatic systems (benzene, naphthalene and pyridine).
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Azines as Electron-Pair Donors to CO2 for N···C Tetrel Bonds
TL;DR: Calculations were performed to investigate tetrel-bonded complexes formed between CO2 and the aromatic bases pyridine, the diazines, triazines, tetrazines, and pentazine to find planar structures have larger binding energies than perpendicular structures.