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Ibon Alkorta
Researcher at Spanish National Research Council
Publications - 896
Citations - 25804
Ibon Alkorta is an academic researcher from Spanish National Research Council. The author has contributed to research in topics: Hydrogen bond & Ab initio. The author has an hindex of 68, co-authored 856 publications receiving 23258 citations. Previous affiliations of Ibon Alkorta include National University of Distance Education & Saint Petersburg State University.
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31P–31P spin–spin coupling constants for pnicogen homodimers
TL;DR: In this paper, a systematic investigation of pnicogen homodimers (PH 2 X) has been carried out, and it was shown that 1p J (P-P) exhibits a quadratic dependence on the P-P distance, similar to the dependence of 2h J (X-Y) on the X-Y distance for complexes with X-H⋯Y hydrogen bonds.
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Basicity of N‐H‐ and N‐Methyl‐1,2,3‐triazoles in the Gas Phase, in Solution, and in the Solid State − An Experimental and Theoretical Study
José-Luis M. Abboud,Concepción Foces-Foces,Rafael Notario,Rostislav E. Trifonov,Anna P. Volovodenko,V. A. Ostrovskii,Ibon Alkorta,José Elguero +7 more
TL;DR: In this article, the gas phase and aqueous basicities of six 1,2,3-triazoles have been determined, the former by FT-ICR and the latter by spectrophotometry and 1H NMR.
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Do coupling constants and chemical shifts provide evidence for the existence of resonance-assisted hydrogen bonds?
TL;DR: In this article, the magnetic properties of the two-bond spin-spin coupling constants and the chemical shifts of the hydrogenbonded protons provided evidence for the existence of resonance-assisted hydrogen bonds (RAHBs).
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Comparison of models to correlate electron density at the bond critical point and bond distance
TL;DR: In this article, the authors compared two models to correlate the electron density at the bond critical point with the bond distance and found that the double logarithmic model provided good results when individual bond types were correlated.
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Experimental measurements and theoretical calculations of the chemical shifts and coupling constants of three azines (benzalazine, acetophenoneazine and cinnamaldazine).
Artur M. S. Silva,Regina M. S. Sousa,María Luisa Jimeno,Fernando Blanco,Ibon Alkorta,José Elguero +5 more
TL;DR: Three azines, two of them doubly labeled with 15N, have been studied by multinuclear magnetic resonance in solution and in the solid state and the spectral parameters obtained by iterative analyses have been compared with DFT/B3LYP calculated values.